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

C30H42N4O4S — CID 137435019

IUPAC(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N[C@H](CC3CCCCC3)C(=O)NC3CCCCCC3)cc2)cc1
InChIInChI=1S/C30H42N4O4S/c1-22-13-19-27(20-14-22)39(37,38)34-26-17-15-25(16-18-26)32-30(36)33-28(21-23-9-5-4-6-10-23)29(35)31-24-11-7-2-3-8-12-24/h13-20,23-24,28,34H,2-12,21H2,1H3,(H,31,35)(H2,32,33,36)/t28-/m1/s1
InChIKeyRVLXMFIYAYVYMG-MUUNZHRXSA-N
MW554.76 g/mol
LogP6.10
Rot. Bonds9

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

(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide (PubChem CID 137435019) has the molecular formula C30H42N4O4S and a molecular weight of 554.76 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
PubChem CID137435019
Molecular FormulaC30H42N4O4S
Molecular Weight554.76 g/mol
Exact Mass554.29
IUPAC Name(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N[C@H](CC3CCCCC3)C(=O)NC3CCCCCC3)cc2)cc1
InChIInChI=1S/C30H42N4O4S/c1-22-13-19-27(20-14-22)39(37,38)34-26-17-15-25(16-18-26)32-30(36)33-28(21-23-9-5-4-6-10-23)29(35)31-24-11-7-2-3-8-12-24/h13-20,23-24,28,34H,2-12,21H2,1H3,(H,31,35)(H2,32,33,36)/t28-/m1/s1
InChIKeyRVLXMFIYAYVYMG-MUUNZHRXSA-N
XLogP6.10
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.76
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435061
(2R)-N-(cyclohexylmethyl)-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
CID 137435195
(2R)-N-(2-cyclohexylethyl)-3-(1H-indol-3-yl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435225
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 146503469
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 7247773
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
(2R)-N-hexyl-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
CID 137435097
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
CID 137435183

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
The IUPAC name of (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide (CID 137435019) is (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N[C@H](CC3CCCCC3)C(=O)NC3CCCCCC3)cc2)cc1.
What is the InChIKey of (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
The InChIKey is RVLXMFIYAYVYMG-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H42N4O4S/c1-22-13-19-27(20-14-22)39(37,38)34-26-17-15-25(16-18-26)32-30(36)33-28(21-23-9-5-4-6-10-23)29(35)31-24-11-7-2-3-8-12-24/h13-20,23-24,28,34H,2-12,21H2,1H3,(H,31,35)(H2,32,33,36)/t28-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide?
(2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide has a molecular weight of 554.76 g/mol, XLogP of 6.10, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-3-cyclohexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide is sourced from PubChem (CID 137435019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).