(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide

C22H24ClN3O4S — CID 11070595

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H24ClN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21-/m0/s1
InChIKeyUVGWXNDNARVPIC-UWJYYQICSA-N
MW461.97 g/mol
LogP3.05
Rot. Bonds9

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide (PubChem CID 11070595) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide
PubChem CID11070595
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H24ClN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21-/m0/s1
InChIKeyUVGWXNDNARVPIC-UWJYYQICSA-N
XLogP3.05
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.05
H-Bond Donors ≤ 53
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]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide (CID 11070595) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide?
The InChIKey is UVGWXNDNARVPIC-UWJYYQICSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide has a molecular weight of 461.97 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 11070595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).