(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H28N2O4S — CID 51802099

IUPAC(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C19H28N2O4S/c1-12(2)17-10-5-13(3)11-18(17)19(23)20-15-6-8-16(9-7-15)26(24,25)21-14(4)22/h6-9,12-13,17-18H,5,10-11H2,1-4H3,(H,20,23)(H,21,22)/t13-,17-,18+/m0/s1
InChIKeyDKKRXSGHPZBHGX-DOPJRALCSA-N
MW380.51 g/mol
LogP3.16
Rot. Bonds5

About (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 51802099) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID51802099
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C19H28N2O4S/c1-12(2)17-10-5-13(3)11-18(17)19(23)20-15-6-8-16(9-7-15)26(24,25)21-14(4)22/h6-9,12-13,17-18H,5,10-11H2,1-4H3,(H,20,23)(H,21,22)/t13-,17-,18+/m0/s1
InChIKeyDKKRXSGHPZBHGX-DOPJRALCSA-N
XLogP3.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide 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

N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079948
trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
(1S,6R)-6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1009398
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681
(1R,6S)-6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6959118
N-(3-hydroxy-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 50906370
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513431
(1R,2S,5R)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 87414752

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 51802099) is (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1.
What is the InChIKey of (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is DKKRXSGHPZBHGX-DOPJRALCSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-12(2)17-10-5-13(3)11-18(17)19(23)20-15-6-8-16(9-7-15)26(24,25)21-14(4)22/h6-9,12-13,17-18H,5,10-11H2,1-4H3,(H,20,23)(H,21,22)/t13-,17-,18+/m0/s1.
What are the key properties of (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 51802099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).