4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide

C21H23NO2S2 — CID 156775731

IUPAC4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(C)s2)cc1
InChIInChI=1S/C21H23NO2S2/c1-16-8-12-19(13-9-16)26(23,24)22-20(21-15-10-17(2)25-21)14-11-18-6-4-3-5-7-18/h3-10,12-13,15,20,22H,11,14H2,1-2H3
InChIKeyGZQBUPKLHYUYGI-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.02
Rot. Bonds7

About 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide

4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide (PubChem CID 156775731) has the molecular formula C21H23NO2S2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
PubChem CID156775731
Molecular FormulaC21H23NO2S2
Molecular Weight385.55 g/mol
Exact Mass385.12
IUPAC Name4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(C)s2)cc1
InChIInChI=1S/C21H23NO2S2/c1-16-8-12-19(13-9-16)26(23,24)22-20(21-15-10-17(2)25-21)14-11-18-6-4-3-5-7-18/h3-10,12-13,15,20,22H,11,14H2,1-2H3
InChIKeyGZQBUPKLHYUYGI-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 105161960
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
CID 171485855
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
CID 10935998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide (CID 156775731) is 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide?
The InChIKey is GZQBUPKLHYUYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S2/c1-16-8-12-19(13-9-16)26(23,24)22-20(21-15-10-17(2)25-21)14-11-18-6-4-3-5-7-18/h3-10,12-13,15,20,22H,11,14H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide?
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide has a molecular weight of 385.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 156775731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).