N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide

C21H25N3O4S — CID 122623685

IUPACN-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2oc(C3CCCC3)nc2c1
InChIInChI=1S/C21H25N3O4S/c1-4-29(26,27)23-16-10-17(15-9-13(2)21(25)24(3)12-15)19-18(11-16)22-20(28-19)14-7-5-6-8-14/h9-12,14,23H,4-8H2,1-3H3
InChIKeyYOMMCHWWGKGIIB-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.92
Rot. Bonds5

About N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide

N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide (PubChem CID 122623685) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
PubChem CID122623685
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2oc(C3CCCC3)nc2c1
InChIInChI=1S/C21H25N3O4S/c1-4-29(26,27)23-16-10-17(15-9-13(2)21(25)24(3)12-15)19-18(11-16)22-20(28-19)14-7-5-6-8-14/h9-12,14,23H,4-8H2,1-3H3
InChIKeyYOMMCHWWGKGIIB-UHFFFAOYSA-N
XLogP3.92
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-cyclopropyl-7-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]methanesulfonamide
CID 122633759
5-[2-cyclopropyl-5-(ethylsulfonylmethyl)-1-benzofuran-7-yl]-1,3-dimethylpyridin-2-one
CID 147410233
N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide
CID 122623722
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988
N-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(4-hydroxycyclohexyl)-6-oxocyclohexa-1,3-dien-1-yl]ethanesulfonamide
CID 129186354
5-[2-ethyl-5-(methylsulfanylamino)-2,3-dihydro-1-benzofuran-7-yl]-1,3-dimethylpyridin-2-one
CID 144832889
N-[6-(cyclopropylmethoxy)-5-(2-fluoro-6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
CID 118021963
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
1-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 83084989
4-(2-cyclopropyl-5-nitro-1,3-benzoxazol-7-yl)-2-methylisoquinolin-1-one
CID 122623675
5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2-methylbenzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 122623748

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide?
The IUPAC name of N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide (CID 122623685) is N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)c2oc(C3CCCC3)nc2c1.
What is the InChIKey of N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide?
The InChIKey is YOMMCHWWGKGIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-29(26,27)23-16-10-17(15-9-13(2)21(25)24(3)12-15)19-18(11-16)22-20(28-19)14-7-5-6-8-14/h9-12,14,23H,4-8H2,1-3H3.
What are the key properties of N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide?
N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,3-benzoxazol-5-yl]ethanesulfonamide is sourced from PubChem (CID 122623685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).