[4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone

C74H85ClF2N4O7S4 — CID 159448817

IUPAC[4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C20H24FNOS.C18H20ClNO2S.C18H20FNO2S.C18H21NO2S/c1-20(2,3)18-10-9-17(24-18)14-7-8-15(16(21)13-14)19(23)22-11-5-4-6-12-22;2*1-12(2)16-5-6-17(23-16)13-3-4-14(15(19)11-13)18(21)20-7-9-22-10-8-20;1-13(2)16-7-8-17(22-16)14-3-5-15(6-4-14)18(20)19-9-11-21-12-10-19/h7-10,13H,4-6,11-12H2,1-3H3;2*3-6,11-12H,7-10H2,1-2H3;3-8,13H,9-12H2,1-2H3
InChIKeyLTCGANBUBXYXAH-UHFFFAOYSA-N
MW1344.23 g/mol
LogP18.30
Rot. Bonds11

About [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone

[4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone (PubChem CID 159448817) has the molecular formula C74H85ClF2N4O7S4 and a molecular weight of 1344.23 g/mol. Its IUPAC name is [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone
PubChem CID159448817
Molecular FormulaC74H85ClF2N4O7S4
Molecular Weight1344.23 g/mol
Exact Mass1342.50
IUPAC Name[4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C20H24FNOS.C18H20ClNO2S.C18H20FNO2S.C18H21NO2S/c1-20(2,3)18-10-9-17(24-18)14-7-8-15(16(21)13-14)19(23)22-11-5-4-6-12-22;2*1-12(2)16-5-6-17(23-16)13-3-4-14(15(19)11-13)18(21)20-7-9-22-10-8-20;1-13(2)16-7-8-17(22-16)14-3-5-15(6-4-14)18(20)19-9-11-21-12-10-19/h7-10,13H,4-6,11-12H2,1-3H3;2*3-6,11-12H,7-10H2,1-2H3;3-8,13H,9-12H2,1-2H3
InChIKeyLTCGANBUBXYXAH-UHFFFAOYSA-N
XLogP18.30
TPSA108.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.23
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-4-[5-[(1R)-1-(3-fluorophenyl)-2,2-dimethyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]thiophen-2-yl]benzoic acid;(3R)-3-[5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 162188567
2-chloro-4-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228856
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
[4-[5-[(1S)-1-(3-fluorophenyl)-2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propyl]thiophen-2-yl]phenyl]-morpholin-4-ylmethanone;formaldehyde;molecular hydrogen
CID 143671015
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]propanamide
CID 70816552
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
[4-[2-fluoro-5-(2-methylbutan-2-yloxy)phenyl]phenyl]-morpholin-4-ylmethanone
CID 126752506
[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone
CID 158154858

Frequently Asked Questions

What is the IUPAC name of [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone?
The IUPAC name of [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone (CID 159448817) is [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone?
The canonical SMILES for [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone is CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)s1.CC(C)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1.
What is the InChIKey of [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone?
The InChIKey is LTCGANBUBXYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS.C18H20ClNO2S.C18H20FNO2S.C18H21NO2S/c1-20(2,3)18-10-9-17(24-18)14-7-8-15(16(21)13-14)19(23)22-11-5-4-6-12-22;2*1-12(2)16-5-6-17(23-16)13-3-4-14(15(19)11-13)18(21)20-7-9-22-10-8-20;1-13(2)16-7-8-17(22-16)14-3-5-15(6-4-14)18(20)19-9-11-21-12-10-19/h7-10,13H,4-6,11-12H2,1-3H3;2*3-6,11-12H,7-10H2,1-2H3;3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone?
[4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone has a molecular weight of 1344.23 g/mol, XLogP of 18.30, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-tert-butylthiophen-2-yl)-2-fluorophenyl]-piperidin-1-ylmethanone;[2-chloro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;[2-fluoro-4-(5-propan-2-ylthiophen-2-yl)phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-(5-propan-2-ylthiophen-2-yl)phenyl]methanone is sourced from PubChem (CID 159448817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).