N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide

C27H33ClN2O2S — CID 42700380

IUPACN-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)c1cccs1
InChIInChI=1S/C27H33ClN2O2S/c1-4-29(5-2)17-7-9-21(3)30(27(31)26-12-8-18-33-26)20-22-10-6-11-25(19-22)32-24-15-13-23(28)14-16-24/h6,8,10-16,18-19,21H,4-5,7,9,17,20H2,1-3H3
InChIKeyFZUROWRISNBOJG-UHFFFAOYSA-N
MW485.09 g/mol
LogP7.35
Rot. Bonds12

About N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide

N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide (PubChem CID 42700380) has the molecular formula C27H33ClN2O2S and a molecular weight of 485.09 g/mol. Its IUPAC name is N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide
PubChem CID42700380
Molecular FormulaC27H33ClN2O2S
Molecular Weight485.09 g/mol
Exact Mass484.20
IUPAC NameN-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)c1cccs1
InChIInChI=1S/C27H33ClN2O2S/c1-4-29(5-2)17-7-9-21(3)30(27(31)26-12-8-18-33-26)20-22-10-6-11-25(19-22)32-24-15-13-23(28)14-16-24/h6,8,10-16,18-19,21H,4-5,7,9,17,20H2,1-3H3
InChIKeyFZUROWRISNBOJG-UHFFFAOYSA-N
XLogP7.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.09
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

1-[[3-(4-chlorophenoxy)phenyl]methyl]-1-[5-(diethylamino)pentan-2-yl]-3-(4-ethylphenyl)urea
CID 42700392
N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
CID 42700694
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
[3-[[[(2R)-butan-2-yl]-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
CID 93301761
1-benzyl-3-(3-chlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695687
[3-[[[(2R)-butan-2-yl]-(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 92519056
1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol
CID 154295078
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
1-benzyl-3-(3,4-dichlorophenyl)-1-[5-(diethylamino)pentan-2-yl]urea
CID 42695686
N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 3573105
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 80666303

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide (CID 42700380) is N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide is CCN(CC)CCCC(C)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)c1cccs1.
What is the InChIKey of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide?
The InChIKey is FZUROWRISNBOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN2O2S/c1-4-29(5-2)17-7-9-21(3)30(27(31)26-12-8-18-33-26)20-22-10-6-11-25(19-22)32-24-15-13-23(28)14-16-24/h6,8,10-16,18-19,21H,4-5,7,9,17,20H2,1-3H3.
What are the key properties of N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide?
N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide has a molecular weight of 485.09 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-[5-(diethylamino)pentan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42700380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).