1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide

C25H30N2O2S — CID 70841755

IUPAC1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide
SMILESCCc1ccc(CS(=O)(=O)N(C)C(c2ccccc2)C(NC)c2ccccc2)cc1
InChIInChI=1S/C25H30N2O2S/c1-4-20-15-17-21(18-16-20)19-30(28,29)27(3)25(23-13-9-6-10-14-23)24(26-2)22-11-7-5-8-12-22/h5-18,24-26H,4,19H2,1-3H3
InChIKeyGEPMWWAKQFVCCM-UHFFFAOYSA-N
MW422.59 g/mol
LogP4.71
Rot. Bonds9

About 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide

1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide (PubChem CID 70841755) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide
PubChem CID70841755
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide
SMILESCCc1ccc(CS(=O)(=O)N(C)C(c2ccccc2)C(NC)c2ccccc2)cc1
InChIInChI=1S/C25H30N2O2S/c1-4-20-15-17-21(18-16-20)19-30(28,29)27(3)25(23-13-9-6-10-14-23)24(26-2)22-11-7-5-8-12-22/h5-18,24-26H,4,19H2,1-3H3
InChIKeyGEPMWWAKQFVCCM-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 11448338
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874
N-ethyl-N-fluoro-1-phenylmethanesulfonamide
CID 118574457
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
CID 104845309

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide (CID 70841755) is 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide is CCc1ccc(CS(=O)(=O)N(C)C(c2ccccc2)C(NC)c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide?
The InChIKey is GEPMWWAKQFVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-4-20-15-17-21(18-16-20)19-30(28,29)27(3)25(23-13-9-6-10-14-23)24(26-2)22-11-7-5-8-12-22/h5-18,24-26H,4,19H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide?
1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide has a molecular weight of 422.59 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide is sourced from PubChem (CID 70841755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).