(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide

C21H25ClN4O5S — CID 2096279

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN4O5S/c22-15-1-7-18(8-2-15)32(29,30)25-19(9-10-20(23)27)21(28)24-16-3-5-17(6-4-16)26-11-13-31-14-12-26/h1-8,19,25H,9-14H2,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKeyRXWSXLFKWWYPJM-LJQANCHMSA-N
MW480.97 g/mol
LogP1.73
Rot. Bonds9

About (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide

(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide (PubChem CID 2096279) has the molecular formula C21H25ClN4O5S and a molecular weight of 480.97 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide
PubChem CID2096279
Molecular FormulaC21H25ClN4O5S
Molecular Weight480.97 g/mol
Exact Mass480.12
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN4O5S/c22-15-1-7-18(8-2-15)32(29,30)25-19(9-10-20(23)27)21(28)24-16-3-5-17(6-4-16)26-11-13-31-14-12-26/h1-8,19,25H,9-14H2,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKeyRXWSXLFKWWYPJM-LJQANCHMSA-N
XLogP1.73
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(4-methylphenyl)sulfonylamino]-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 160716542
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)-N'-(4-nitrophenyl)pentanediamide
CID 159601767
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
CID 2539497
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 95396995
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 155168968
2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 155168971
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 4841701
(2R)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 137451312
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide (CID 2096279) is (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide is NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide?
The InChIKey is RXWSXLFKWWYPJM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25ClN4O5S/c22-15-1-7-18(8-2-15)32(29,30)25-19(9-10-20(23)27)21(28)24-16-3-5-17(6-4-16)26-11-13-31-14-12-26/h1-8,19,25H,9-14H2,(H2,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide?
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide has a molecular weight of 480.97 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide is sourced from PubChem (CID 2096279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).