N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide

C23H30N2O3S — CID 91716737

IUPACN-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25(17-16-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24-19(2)26/h3-5,8-9,12-15,22-23H,6-7,10-11,16-17H2,1-2H3,(H,24,26)/t22-,23-/m1/s1
InChIKeyBPOXRZCJZMLUDC-DHIUTWEWSA-N
MW414.57 g/mol
LogP3.68
Rot. Bonds7

About N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide

N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide (PubChem CID 91716737) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide
PubChem CID91716737
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25(17-16-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24-19(2)26/h3-5,8-9,12-15,22-23H,6-7,10-11,16-17H2,1-2H3,(H,24,26)/t22-,23-/m1/s1
InChIKeyBPOXRZCJZMLUDC-DHIUTWEWSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbamate
CID 50906329
N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
CID 44518327
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967123
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
(2R)-N-cyclopentyl-2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125050392
(2S)-N-cyclohexyl-2-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100517949
N-cyclohexyl-2-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132633611
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
(2S)-N-cyclohexyl-2-[[2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100520788
N-cyclopentyl-2-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132631181

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide (CID 91716737) is N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide is CC(=O)N[C@@H]1CCCC[C@H]1N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide?
The InChIKey is BPOXRZCJZMLUDC-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25(17-16-20-8-4-3-5-9-20)23-11-7-6-10-22(23)24-19(2)26/h3-5,8-9,12-15,22-23H,6-7,10-11,16-17H2,1-2H3,(H,24,26)/t22-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide?
N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide has a molecular weight of 414.57 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 91716737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).