N-benzylthiophene-2-carboxamide

C12H11NOS — CID 574227

IUPACN-benzylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cccs1
InChIInChI=1S/C12H11NOS/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)
InChIKeyWCGCLWNPEQTVSG-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.68
Rot. Bonds3

About N-benzylthiophene-2-carboxamide

N-benzylthiophene-2-carboxamide (PubChem CID 574227) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is N-benzylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzylthiophene-2-carboxamide
PubChem CID574227
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC NameN-benzylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cccs1
InChIInChI=1S/C12H11NOS/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)
InChIKeyWCGCLWNPEQTVSG-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 4919616
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55787133
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
4-[4-[(thiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247435

Frequently Asked Questions

What is the IUPAC name of N-benzylthiophene-2-carboxamide?
The IUPAC name of N-benzylthiophene-2-carboxamide (CID 574227) is N-benzylthiophene-2-carboxamide.
What is the SMILES notation for N-benzylthiophene-2-carboxamide?
The canonical SMILES for N-benzylthiophene-2-carboxamide is O=C(NCc1ccccc1)c1cccs1.
What is the InChIKey of N-benzylthiophene-2-carboxamide?
The InChIKey is WCGCLWNPEQTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14).
What are the key properties of N-benzylthiophene-2-carboxamide?
N-benzylthiophene-2-carboxamide has a molecular weight of 217.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylthiophene-2-carboxamide is sourced from PubChem (CID 574227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).