ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate

C22H27NO4S — CID 143603287

IUPACethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(CCC1C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H27NO4S/c1-3-27-22(24)23(28(25,26)21-11-9-17(2)10-12-21)14-13-19-16-20(19)15-18-7-5-4-6-8-18/h4-12,19-20H,3,13-16H2,1-2H3/t19?,20-/m1/s1
InChIKeyJTWKMCFUDVJSAQ-GFOWMXPYSA-N
MW401.53 g/mol
LogP4.41
Rot. Bonds8

About ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate

ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 143603287) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID143603287
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Nameethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(CCC1C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H27NO4S/c1-3-27-22(24)23(28(25,26)21-11-9-17(2)10-12-21)14-13-19-16-20(19)15-18-7-5-4-6-8-18/h4-12,19-20H,3,13-16H2,1-2H3/t19?,20-/m1/s1
InChIKeyJTWKMCFUDVJSAQ-GFOWMXPYSA-N
XLogP4.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenylphosphane;ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate
CID 143603286
ethyl N-(3-methylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 163464803
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
9H-fluoren-9-ylmethyl N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 102400119
N-(4-methylphenyl)sulfonyl-4-nitro-N-[2-[2-[(E)-3-phenylbut-2-en-2-yl]cyclopropyl]ethyl]benzamide
CID 170457513
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
methyl (E)-3-[benzyl-(4-methylphenyl)sulfonylamino]but-2-enoate
CID 177422417
1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
CID 10798169

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate (CID 143603287) is ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate is CCOC(=O)N(CCC1C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is JTWKMCFUDVJSAQ-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-3-27-22(24)23(28(25,26)21-11-9-17(2)10-12-21)14-13-19-16-20(19)15-18-7-5-4-6-8-18/h4-12,19-20H,3,13-16H2,1-2H3/t19?,20-/m1/s1.
What are the key properties of ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate?
ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 401.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2S)-2-benzylcyclopropyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 143603287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).