(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide

C22H29N3O4S — CID 155168657

IUPAC(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-17(2)16-21(24-30(27,28)20-6-4-3-5-7-20)22(26)23-18-8-10-19(11-9-18)25-12-14-29-15-13-25/h3-11,17,21,24H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyBUZMCENIBCDCID-NRFANRHFSA-N
MW431.56 g/mol
LogP2.85
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide

(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide (PubChem CID 155168657) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
PubChem CID155168657
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-17(2)16-21(24-30(27,28)20-6-4-3-5-7-20)22(26)23-18-8-10-19(11-9-18)25-12-14-29-15-13-25/h3-11,17,21,24H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyBUZMCENIBCDCID-NRFANRHFSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide (CID 155168657) is (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide is CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
The InChIKey is BUZMCENIBCDCID-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17(2)16-21(24-30(27,28)20-6-4-3-5-7-20)22(26)23-18-8-10-19(11-9-18)25-12-14-29-15-13-25/h3-11,17,21,24H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
(2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide has a molecular weight of 431.56 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-4-methyl-N-(4-morpholin-4-ylphenyl)pentanamide is sourced from PubChem (CID 155168657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).