N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide

C14H15NOS2 — CID 107021894

IUPACN-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S)cs2)cc1
InChIInChI=1S/C14H15NOS2/c1-10-3-5-11(6-4-10)8-15(2)14(16)13-7-12(17)9-18-13/h3-7,9,17H,8H2,1-2H3
InChIKeyKCQWNFWSLSTYAD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds3

About N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide

N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107021894) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107021894
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S)cs2)cc1
InChIInChI=1S/C14H15NOS2/c1-10-3-5-11(6-4-10)8-15(2)14(16)13-7-12(17)9-18-13/h3-7,9,17H,8H2,1-2H3
InChIKeyKCQWNFWSLSTYAD-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
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-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762664
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9396355
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107021894) is N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(S)cs2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is KCQWNFWSLSTYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-10-3-5-11(6-4-10)8-15(2)14(16)13-7-12(17)9-18-13/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107021894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).