(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide

C28H34N4O4S — CID 137435183

IUPAC(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
SMILESCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H34N4O4S/c1-3-4-8-19-29-27(33)26(20-22-9-6-5-7-10-22)31-28(34)30-23-13-15-24(16-14-23)32-37(35,36)25-17-11-21(2)12-18-25/h5-7,9-18,26,32H,3-4,8,19-20H2,1-2H3,(H,29,33)(H2,30,31,34)/t26-/m1/s1
InChIKeyZOWFCSJLXVLPPV-AREMUKBSSA-N
MW522.67 g/mol
LogP4.84
Rot. Bonds12

About (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide

(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide (PubChem CID 137435183) has the molecular formula C28H34N4O4S and a molecular weight of 522.67 g/mol. Its IUPAC name is (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
PubChem CID137435183
Molecular FormulaC28H34N4O4S
Molecular Weight522.67 g/mol
Exact Mass522.23
IUPAC Name(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
SMILESCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H34N4O4S/c1-3-4-8-19-29-27(33)26(20-22-9-6-5-7-10-22)31-28(34)30-23-13-15-24(16-14-23)32-37(35,36)25-17-11-21(2)12-18-25/h5-7,9-18,26,32H,3-4,8,19-20H2,1-2H3,(H,29,33)(H2,30,31,34)/t26-/m1/s1
InChIKeyZOWFCSJLXVLPPV-AREMUKBSSA-N
XLogP4.84
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.67
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(2S)-2-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]carbamoylamino]-3-(4-chlorophenyl)-N-octylpropanamide
CID 137435044
tert-butyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-3-phenylpropanoate
CID 137435192
N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide
CID 137435031
2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide
CID 137435186
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122
2-[(4-fluorophenyl)sulfonylamino]-N-heptyl-3-phenylpropanamide
CID 20967531
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide (CID 137435183) is (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide is CCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide?
The InChIKey is ZOWFCSJLXVLPPV-AREMUKBSSA-N. The full InChI is InChI=1S/C28H34N4O4S/c1-3-4-8-19-29-27(33)26(20-22-9-6-5-7-10-22)31-28(34)30-23-13-15-24(16-14-23)32-37(35,36)25-17-11-21(2)12-18-25/h5-7,9-18,26,32H,3-4,8,19-20H2,1-2H3,(H,29,33)(H2,30,31,34)/t26-/m1/s1.
What are the key properties of (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide?
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide has a molecular weight of 522.67 g/mol, XLogP of 4.84, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide is sourced from PubChem (CID 137435183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).