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

C20H32ClN3O4S — CID 71462261

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H32ClN3O4S/c1-16(2)15-19(20(22)25)24(10-4-3-9-23-11-13-28-14-12-23)29(26,27)18-7-5-17(21)6-8-18/h5-8,16,19H,3-4,9-15H2,1-2H3,(H2,22,25)/t19-/m1/s1
InChIKeyJWFOOZPONCCWHG-LJQANCHMSA-N
MW446.01 g/mol
LogP2.34
Rot. Bonds11

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

(2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide (PubChem CID 71462261) has the molecular formula C20H32ClN3O4S and a molecular weight of 446.01 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide
PubChem CID71462261
Molecular FormulaC20H32ClN3O4S
Molecular Weight446.01 g/mol
Exact Mass445.18
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H32ClN3O4S/c1-16(2)15-19(20(22)25)24(10-4-3-9-23-11-13-28-14-12-23)29(26,27)18-7-5-17(21)6-8-18/h5-8,16,19H,3-4,9-15H2,1-2H3,(H2,22,25)/t19-/m1/s1
InChIKeyJWFOOZPONCCWHG-LJQANCHMSA-N
XLogP2.34
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.01
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide (CID 71462261) is (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(CCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide?
The InChIKey is JWFOOZPONCCWHG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H32ClN3O4S/c1-16(2)15-19(20(22)25)24(10-4-3-9-23-11-13-28-14-12-23)29(26,27)18-7-5-17(21)6-8-18/h5-8,16,19H,3-4,9-15H2,1-2H3,(H2,22,25)/t19-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide has a molecular weight of 446.01 g/mol, XLogP of 2.34, 11 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-(4-morpholin-4-ylbutyl)amino]-4-methylpentanamide is sourced from PubChem (CID 71462261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).