(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide

C27H38N4O4S — CID 137435195

IUPAC(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N[C@H](CC(C)C)C(=O)NCC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H38N4O4S/c1-19(2)17-25(26(32)28-18-21-7-5-4-6-8-21)30-27(33)29-22-11-13-23(14-12-22)31-36(34,35)24-15-9-20(3)10-16-24/h9-16,19,21,25,31H,4-8,17-18H2,1-3H3,(H,28,32)(H2,29,30,33)/t25-/m1/s1
InChIKeyTUXQNXPSJQDWOX-RUZDIDTESA-N
MW514.69 g/mol
LogP5.03
Rot. Bonds10

About (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide

(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide (PubChem CID 137435195) has the molecular formula C27H38N4O4S and a molecular weight of 514.69 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
PubChem CID137435195
Molecular FormulaC27H38N4O4S
Molecular Weight514.69 g/mol
Exact Mass514.26
IUPAC Name(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N[C@H](CC(C)C)C(=O)NCC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H38N4O4S/c1-19(2)17-25(26(32)28-18-21-7-5-4-6-8-21)30-27(33)29-22-11-13-23(14-12-22)31-36(34,35)24-15-9-20(3)10-16-24/h9-16,19,21,25,31H,4-8,17-18H2,1-3H3,(H,28,32)(H2,29,30,33)/t25-/m1/s1
InChIKeyTUXQNXPSJQDWOX-RUZDIDTESA-N
XLogP5.03
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.69
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide with MolForge

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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)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435061
(2R)-N-(2-cyclohexylethyl)-3-(1H-indol-3-yl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435225
N-(3-cyclohexyloxypropyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46613224
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
CID 137435183
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 5207855
tert-butyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-3-phenylpropanoate
CID 137435192
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide (CID 137435195) is (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N[C@H](CC(C)C)C(=O)NCC3CCCCC3)cc2)cc1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide?
The InChIKey is TUXQNXPSJQDWOX-RUZDIDTESA-N. The full InChI is InChI=1S/C27H38N4O4S/c1-19(2)17-25(26(32)28-18-21-7-5-4-6-8-21)30-27(33)29-22-11-13-23(14-12-22)31-36(34,35)24-15-9-20(3)10-16-24/h9-16,19,21,25,31H,4-8,17-18H2,1-3H3,(H,28,32)(H2,29,30,33)/t25-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide?
(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide has a molecular weight of 514.69 g/mol, XLogP of 5.03, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide is sourced from PubChem (CID 137435195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).