(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide

C22H36ClN3O4S — CID 10310891

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CCCCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H36ClN3O4S/c1-18(2)17-21(22(24)27)26(31(28,29)20-9-7-19(23)8-10-20)12-6-4-3-5-11-25-13-15-30-16-14-25/h7-10,18,21H,3-6,11-17H2,1-2H3,(H2,24,27)/t21-/m1/s1
InChIKeyZQBWFFJMERANRW-OAQYLSRUSA-N
MW474.07 g/mol
LogP3.12
Rot. Bonds13

About (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide (PubChem CID 10310891) has the molecular formula C22H36ClN3O4S and a molecular weight of 474.07 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide
PubChem CID10310891
Molecular FormulaC22H36ClN3O4S
Molecular Weight474.07 g/mol
Exact Mass473.21
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CCCCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H36ClN3O4S/c1-18(2)17-21(22(24)27)26(31(28,29)20-9-7-19(23)8-10-20)12-6-4-3-5-11-25-13-15-30-16-14-25/h7-10,18,21H,3-6,11-17H2,1-2H3,(H2,24,27)/t21-/m1/s1
InChIKeyZQBWFFJMERANRW-OAQYLSRUSA-N
XLogP3.12
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.07
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
4-Chloro-N-(1-methyl-2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2955346
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11111892
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 5323496
2-(4-Chloro-benzenesulfonylamino)-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide
CID 44381745
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833941
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-4,4-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833942
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833943
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-3,3-dimethyloxetan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56833944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide (CID 10310891) is (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(CCCCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide?
The InChIKey is ZQBWFFJMERANRW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H36ClN3O4S/c1-18(2)17-21(22(24)27)26(31(28,29)20-9-7-19(23)8-10-20)12-6-4-3-5-11-25-13-15-30-16-14-25/h7-10,18,21H,3-6,11-17H2,1-2H3,(H2,24,27)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide has a molecular weight of 474.07 g/mol, XLogP of 3.12, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-(6-morpholin-4-ylhexyl)amino]-4-methylpentanamide is sourced from PubChem (CID 10310891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).