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

C20H17ClN2O2S — CID 55753115

IUPACN-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C20H17ClN2O2S/c21-17-4-1-3-15(11-17)13-22-19(24)16-8-6-14(7-9-16)12-23-20(25)18-5-2-10-26-18/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyVUFUXOFCFZZKBP-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.26
Rot. Bonds6

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

N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55753115) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55753115
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C20H17ClN2O2S/c21-17-4-1-3-15(11-17)13-22-19(24)16-8-6-14(7-9-16)12-23-20(25)18-5-2-10-26-18/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyVUFUXOFCFZZKBP-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-benzylthiophene-2-carboxamide
CID 574227
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662212
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55753115) is N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is VUFUXOFCFZZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c21-17-4-1-3-15(11-17)13-22-19(24)16-8-6-14(7-9-16)12-23-20(25)18-5-2-10-26-18/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55753115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).