3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide

C21H22F2N2O3S — CID 32863090

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccc(F)c(F)c1)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H22F2N2O3S/c22-18-6-5-17(13-19(18)23)29-12-7-20(26)24-14-15-1-3-16(4-2-15)21(27)25-8-10-28-11-9-25/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyWZPNNXMPYUCVOV-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.24
Rot. Bonds7

About 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide

3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide (PubChem CID 32863090) has the molecular formula C21H22F2N2O3S and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide
PubChem CID32863090
Molecular FormulaC21H22F2N2O3S
Molecular Weight420.48 g/mol
Exact Mass420.13
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccc(F)c(F)c1)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H22F2N2O3S/c22-18-6-5-17(13-19(18)23)29-12-7-20(26)24-14-15-1-3-16(4-2-15)21(27)25-8-10-28-11-9-25/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyWZPNNXMPYUCVOV-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18145207
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
6-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42897099
1-(4-benzoylpiperazin-1-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 134059953
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 27172933
2-(5-chloro-2-morpholin-4-ylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463616
4-[2-[[4-(morpholine-4-carbonyl)phenyl]methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 32862416
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32863739
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide (CID 32863090) is 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide is O=C(CCSc1ccc(F)c(F)c1)NCc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
The InChIKey is WZPNNXMPYUCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3S/c22-18-6-5-17(13-19(18)23)29-12-7-20(26)24-14-15-1-3-16(4-2-15)21(27)25-8-10-28-11-9-25/h1-6,13H,7-12,14H2,(H,24,26).
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 32863090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).