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

C22H23NO3S2 — CID 19210471

IUPACN-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCCCCc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO3S2/c1-3-4-6-18-10-12-19(13-11-18)23(22(24)21-7-5-16-27-21)28(25,26)20-14-8-17(2)9-15-20/h5,7-16H,3-4,6H2,1-2H3
InChIKeyTWCDPZZBERKMLH-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.43
Rot. Bonds7

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

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide (PubChem CID 19210471) has the molecular formula C22H23NO3S2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
PubChem CID19210471
Molecular FormulaC22H23NO3S2
Molecular Weight413.56 g/mol
Exact Mass413.11
IUPAC NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCCCCc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO3S2/c1-3-4-6-18-10-12-19(13-11-18)23(22(24)21-7-5-16-27-21)28(25,26)20-14-8-17(2)9-15-20/h5,7-16H,3-4,6H2,1-2H3
InChIKeyTWCDPZZBERKMLH-UHFFFAOYSA-N
XLogP5.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylfuran-2-carboxamide
CID 19210446
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
4-tert-butyl-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211041
N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 19211346
N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219016
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19210466
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide (CID 19210471) is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide is CCCCc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is TWCDPZZBERKMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S2/c1-3-4-6-18-10-12-19(13-11-18)23(22(24)21-7-5-16-27-21)28(25,26)20-14-8-17(2)9-15-20/h5,7-16H,3-4,6H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 19210471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).