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

C19H15ClN2O2S — CID 23913368

IUPACN-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H15ClN2O2S/c20-14-9-7-13(8-10-14)12-21-18(23)15-4-1-2-5-16(15)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyPVVHTBHICBADSG-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.58
Rot. Bonds5

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

N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 23913368) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID23913368
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H15ClN2O2S/c20-14-9-7-13(8-10-14)12-21-18(23)15-4-1-2-5-16(15)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyPVVHTBHICBADSG-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30833133
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24653539
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 23913368) is N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PVVHTBHICBADSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-14-9-7-13(8-10-14)12-21-18(23)15-4-1-2-5-16(15)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23913368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).