5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

C21H19ClN2O2S — CID 55724024

IUPAC5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C21H19ClN2O2S/c1-2-23-20(25)16-5-3-4-14(12-16)13-24-21(26)19-11-10-18(27-19)15-6-8-17(22)9-7-15/h3-12H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyPYGCWFJCMRZWIY-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.75
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55724024) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55724024
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C21H19ClN2O2S/c1-2-23-20(25)16-5-3-4-14(12-16)13-24-21(26)19-11-10-18(27-19)15-6-8-17(22)9-7-15/h3-12H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyPYGCWFJCMRZWIY-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145657
N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
3-[[[N'-[(3-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111175891
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 55724024) is 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is PYGCWFJCMRZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-2-23-20(25)16-5-3-4-14(12-16)13-24-21(26)19-11-10-18(27-19)15-6-8-17(22)9-7-15/h3-12H,2,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55724024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).