N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide

C13H12ClNO2S2 — CID 107020009

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(S)cs1
InChIInChI=1S/C13H12ClNO2S2/c1-7-3-10(11(17-2)5-9(7)14)15-13(16)12-4-8(18)6-19-12/h3-6,18H,1-2H3,(H,15,16)
InChIKeyKOQCMOXMOYAJGN-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.26
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107020009) has the molecular formula C13H12ClNO2S2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107020009
Molecular FormulaC13H12ClNO2S2
Molecular Weight313.83 g/mol
Exact Mass313.00
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(S)cs1
InChIInChI=1S/C13H12ClNO2S2/c1-7-3-10(11(17-2)5-9(7)14)15-13(16)12-4-8(18)6-19-12/h3-6,18H,1-2H3,(H,15,16)
InChIKeyKOQCMOXMOYAJGN-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-(2-chloro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107026835
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide (CID 107020009) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(S)cs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is KOQCMOXMOYAJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S2/c1-7-3-10(11(17-2)5-9(7)14)15-13(16)12-4-8(18)6-19-12/h3-6,18H,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107020009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).