N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide

C19H16N2O2S — CID 2979144

IUPACN-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N2O2S/c22-18(20-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyZSJFHJZKDGEZNB-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.93
Rot. Bonds5

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

N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2979144) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2979144
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N2O2S/c22-18(20-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyZSJFHJZKDGEZNB-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-benzylthiophene-2-carboxamide
CID 574227
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9453685
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 2979144) is N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZSJFHJZKDGEZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(20-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2979144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).