N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide

C13H13NOS2 — CID 107020696

IUPACN-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(S)cs1
InChIInChI=1S/C13H13NOS2/c1-14(8-10-5-3-2-4-6-10)13(15)12-7-11(16)9-17-12/h2-7,9,16H,8H2,1H3
InChIKeyANIODPZKFJZCOO-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.31
Rot. Bonds3

About N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide

N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107020696) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
PubChem CID107020696
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC NameN-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(S)cs1
InChIInChI=1S/C13H13NOS2/c1-14(8-10-5-3-2-4-6-10)13(15)12-7-11(16)9-17-12/h2-7,9,16H,8H2,1H3
InChIKeyANIODPZKFJZCOO-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide (CID 107020696) is N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(S)cs1.
What is the InChIKey of N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is ANIODPZKFJZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c1-14(8-10-5-3-2-4-6-10)13(15)12-7-11(16)9-17-12/h2-7,9,16H,8H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide?
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 263.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107020696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).