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

C20H27N3O5S — CID 5307724

IUPACN-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H27N3O5S/c1-4-27-18-11-9-17(10-12-18)23(13-19(24)21-16-7-5-6-8-16)29(25,26)20-14(2)22-28-15(20)3/h9-12,16H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyKPHCYUGQQLQRRZ-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.94
Rot. Bonds8

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

N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (PubChem CID 5307724) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
PubChem CID5307724
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H27N3O5S/c1-4-27-18-11-9-17(10-12-18)23(13-19(24)21-16-7-5-6-8-16)29(25,26)20-14(2)22-28-15(20)3/h9-12,16H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyKPHCYUGQQLQRRZ-UHFFFAOYSA-N
XLogP2.94
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The IUPAC name of N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (CID 5307724) is N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is CCOc1ccc(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-ethoxyanilino]acetamide?
The InChIKey is KPHCYUGQQLQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-27-18-11-9-17(10-12-18)23(13-19(24)21-16-7-5-6-8-16)29(25,26)20-14(2)22-28-15(20)3/h9-12,16H,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-ethoxyanilino]acetamide?
N-cyclopentyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide has a molecular weight of 421.52 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethoxyanilino]acetamide is sourced from PubChem (CID 5307724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).