N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide

C20H27N3O4S — CID 4621417

IUPACN-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H27N3O4S/c1-4-16-9-11-18(12-10-16)23(13-19(24)21-17-7-5-6-8-17)28(25,26)20-14(2)22-27-15(20)3/h9-12,17H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyYWHXWJZFKHQVIE-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.11
Rot. Bonds7

About N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide

N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide (PubChem CID 4621417) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
PubChem CID4621417
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H27N3O4S/c1-4-16-9-11-18(12-10-16)23(13-19(24)21-17-7-5-6-8-17)28(25,26)20-14(2)22-27-15(20)3/h9-12,17H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyYWHXWJZFKHQVIE-UHFFFAOYSA-N
XLogP3.11
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide 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 N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
The IUPAC name of N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide (CID 4621417) is N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide is CCc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
The InChIKey is YWHXWJZFKHQVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-16-9-11-18(12-10-16)23(13-19(24)21-17-7-5-6-8-17)28(25,26)20-14(2)22-27-15(20)3/h9-12,17H,4-8,13H2,1-3H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide has a molecular weight of 405.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide is sourced from PubChem (CID 4621417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).