N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide

C19H17NO3S2 — CID 19210463

IUPACN-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO3S2/c1-14-5-9-16(10-6-14)20(19(21)18-4-3-13-24-18)25(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyNKTMPYVCGCZVBT-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.40
Rot. Bonds4

About N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide

N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide (PubChem CID 19210463) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
PubChem CID19210463
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC NameN-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO3S2/c1-14-5-9-16(10-6-14)20(19(21)18-4-3-13-24-18)25(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyNKTMPYVCGCZVBT-UHFFFAOYSA-N
XLogP4.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210471
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19210466
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
CID 993466
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 10862483
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
CID 11165697
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
N-(benzenesulfonyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19210790
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide (CID 19210463) is N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide is Cc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is NKTMPYVCGCZVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-14-5-9-16(10-6-14)20(19(21)18-4-3-13-24-18)25(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 19210463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).