N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide

C20H17ClN2O2S — CID 24897002

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
InChIKeyOYAZNQWKGGEAGZ-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.04
Rot. Bonds6

About N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 24897002) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID24897002
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
InChIKeyOYAZNQWKGGEAGZ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024
7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623618

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide (CID 24897002) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide is O=C(CNC(=O)c1ccsc1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is OYAZNQWKGGEAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 24897002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).