N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide

C22H23N3O5S — CID 5309751

IUPACN-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1
InChIInChI=1S/C22H23N3O5S/c26-21(23-16-6-2-3-7-16)14-24-19-10-9-17(13-20(19)30-22(24)27)31(28,29)25-12-11-15-5-1-4-8-18(15)25/h1,4-5,8-10,13,16H,2-3,6-7,11-12,14H2,(H,23,26)
InChIKeyUJRKABQSANBAON-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.40
Rot. Bonds5

About N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide

N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide (PubChem CID 5309751) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
PubChem CID5309751
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1
InChIInChI=1S/C22H23N3O5S/c26-21(23-16-6-2-3-7-16)14-24-19-10-9-17(13-20(19)30-22(24)27)31(28,29)25-12-11-15-5-1-4-8-18(15)25/h1,4-5,8-10,13,16H,2-3,6-7,11-12,14H2,(H,23,26)
InChIKeyUJRKABQSANBAON-UHFFFAOYSA-N
XLogP2.40
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 9551425
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
N-(3-ethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 3245899
N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 5308219
2-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-YL]-N-[4-(propan-2-YL)phenyl]acetamide
CID 16012592
N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 50919367
3-methyl-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 751870
3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid (2,3-dimethyl-phenyl)-amide
CID 1093443
3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid cyclohexylamide
CID 1093466
N-(3,4-dimethylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 20858997
3-[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-YL)ethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
CID 9551553

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide (CID 5309751) is N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide is O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The InChIKey is UJRKABQSANBAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c26-21(23-16-6-2-3-7-16)14-24-19-10-9-17(13-20(19)30-22(24)27)31(28,29)25-12-11-15-5-1-4-8-18(15)25/h1,4-5,8-10,13,16H,2-3,6-7,11-12,14H2,(H,23,26).
What are the key properties of N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 5309751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).