(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide

C29H42N4O4S — CID 137435061

IUPAC(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
SMILESCCCCCCNC(=O)[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H42N4O4S/c1-3-4-5-9-20-30-28(34)27(21-23-10-7-6-8-11-23)32-29(35)31-24-14-16-25(17-15-24)33-38(36,37)26-18-12-22(2)13-19-26/h12-19,23,27,33H,3-11,20-21H2,1-2H3,(H,30,34)(H2,31,32,35)/t27-/m1/s1
InChIKeyULFYXBFOTRJYHA-HHHXNRCGSA-N
MW542.75 g/mol
LogP5.95
Rot. Bonds13

About (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide

(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide (PubChem CID 137435061) has the molecular formula C29H42N4O4S and a molecular weight of 542.75 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
PubChem CID137435061
Molecular FormulaC29H42N4O4S
Molecular Weight542.75 g/mol
Exact Mass542.29
IUPAC Name(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
SMILESCCCCCCNC(=O)[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H42N4O4S/c1-3-4-5-9-20-30-28(34)27(21-23-10-7-6-8-11-23)32-29(35)31-24-14-16-25(17-15-24)33-38(36,37)26-18-12-22(2)13-19-26/h12-19,23,27,33H,3-11,20-21H2,1-2H3,(H,30,34)(H2,31,32,35)/t27-/m1/s1
InChIKeyULFYXBFOTRJYHA-HHHXNRCGSA-N
XLogP5.95
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide 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

(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435019
(2R)-N-hexyl-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
CID 137435097
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
CID 137435183
(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
CID 137435195
N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide
CID 137435031
2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide
CID 137435186
(2R)-N-(2-cyclohexylethyl)-3-(1H-indol-3-yl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435225
(2S)-2-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]carbamoylamino]-3-(4-chlorophenyl)-N-octylpropanamide
CID 137435044
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
The IUPAC name of (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide (CID 137435061) is (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide.
What is the SMILES notation for (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
The canonical SMILES for (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide is CCCCCCNC(=O)[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
The InChIKey is ULFYXBFOTRJYHA-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H42N4O4S/c1-3-4-5-9-20-30-28(34)27(21-23-10-7-6-8-11-23)32-29(35)31-24-14-16-25(17-15-24)33-38(36,37)26-18-12-22(2)13-19-26/h12-19,23,27,33H,3-11,20-21H2,1-2H3,(H,30,34)(H2,31,32,35)/t27-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide has a molecular weight of 542.75 g/mol, XLogP of 5.95, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide is sourced from PubChem (CID 137435061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).