(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C25H26N4O6S — CID 1182489

IUPAC(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C25H26N4O6S/c1-14(2)13-21(29-24(31)19-7-5-6-8-20(19)25(29)32)22(30)26-17-9-11-18(12-10-17)36(33,34)28-23-15(3)16(4)27-35-23/h5-12,14,21,28H,13H2,1-4H3,(H,26,30)/t21-/m0/s1
InChIKeyRYIYZBJCEQYNPO-NRFANRHFSA-N
MW510.57 g/mol
LogP3.74
Rot. Bonds8

About (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 1182489) has the molecular formula C25H26N4O6S and a molecular weight of 510.57 g/mol. Its IUPAC name is (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID1182489
Molecular FormulaC25H26N4O6S
Molecular Weight510.57 g/mol
Exact Mass510.16
IUPAC Name(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C
InChIInChI=1S/C25H26N4O6S/c1-14(2)13-21(29-24(31)19-7-5-6-8-20(19)25(29)32)22(30)26-17-9-11-18(12-10-17)36(33,34)28-23-15(3)16(4)27-35-23/h5-12,14,21,28H,13H2,1-4H3,(H,26,30)/t21-/m0/s1
InChIKeyRYIYZBJCEQYNPO-NRFANRHFSA-N
XLogP3.74
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2789368
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylpropanamide
CID 1194511
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7067637
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-4-methylpentanamide
CID 98396669
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 1122692
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 53266320
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 1182489) is (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C.
What is the InChIKey of (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is RYIYZBJCEQYNPO-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N4O6S/c1-14(2)13-21(29-24(31)19-7-5-6-8-20(19)25(29)32)22(30)26-17-9-11-18(12-10-17)36(33,34)28-23-15(3)16(4)27-35-23/h5-12,14,21,28H,13H2,1-4H3,(H,26,30)/t21-/m0/s1.
What are the key properties of (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 510.57 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 1182489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).