4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide

C18H21NO2S — CID 101156823

IUPAC4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide
SMILESC/C=C/N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-3-14-19(15-13-17-7-5-4-6-8-17)22(20,21)18-11-9-16(2)10-12-18/h3-12,14H,13,15H2,1-2H3/b14-3+
InChIKeyCHEQVKBUXUCCOW-LZWSPWQCSA-N
MW315.44 g/mol
LogP3.76
Rot. Bonds6

About 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide

4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide (PubChem CID 101156823) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide
PubChem CID101156823
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide
SMILESC/C=C/N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-3-14-19(15-13-17-7-5-4-6-8-17)22(20,21)18-11-9-16(2)10-12-18/h3-12,14H,13,15H2,1-2H3/b14-3+
InChIKeyCHEQVKBUXUCCOW-LZWSPWQCSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
CID 11223942
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide
CID 177483616
N-benzyl-N-[(1Z)-2-chlorobuta-1,3-dienyl]-4-methylbenzenesulfonamide
CID 134875223
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94845794
[triphenyl(2-phenylethyl)-λ5-arsanyl] 4-methylbenzenesulfonate
CID 88707848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide (CID 101156823) is 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide is C/C=C/N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide?
The InChIKey is CHEQVKBUXUCCOW-LZWSPWQCSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-14-19(15-13-17-7-5-4-6-8-17)22(20,21)18-11-9-16(2)10-12-18/h3-12,14H,13,15H2,1-2H3/b14-3+.
What are the key properties of 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide?
4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 101156823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).