(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide

C20H23ClN2O4S — CID 11069884

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1
InChIKeyKJQGKLXPJNUSSM-HKUYNNGSSA-N
MW422.93 g/mol
LogP2.57
Rot. Bonds9

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide (PubChem CID 11069884) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
PubChem CID11069884
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1
InChIKeyKJQGKLXPJNUSSM-HKUYNNGSSA-N
XLogP2.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide (CID 11069884) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
The InChIKey is KJQGKLXPJNUSSM-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide has a molecular weight of 422.93 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 11069884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).