N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

C17H22N2O5S — CID 126459449

IUPACN-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
SMILESCC(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C17H22N2O5S/c1-11(8-16(20)18-12-4-2-3-5-12)25(22,23)13-6-7-14-15(9-13)24-10-17(21)19-14/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRXUWMKOYHAISN-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide (PubChem CID 126459449) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
PubChem CID126459449
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
SMILESCC(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C17H22N2O5S/c1-11(8-16(20)18-12-4-2-3-5-12)25(22,23)13-6-7-14-15(9-13)24-10-17(21)19-14/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRXUWMKOYHAISN-UHFFFAOYSA-N
XLogP1.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 46276291
N-cyclooctyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 20911788
(3S)-N-cyclopentyl-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanamide
CID 95089952
N-(3-chloro-4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 126459650
N-(5-chloro-2-methoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 126459300
N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 22551325
N-(2-methylcyclohexyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126457750
N-(2,5-dimethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
CID 20909855
N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802870
N-[(1R)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802886
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917
3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126459378

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide?
The IUPAC name of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide (CID 126459449) is N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide.
What is the SMILES notation for N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide?
The canonical SMILES for N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide is CC(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide?
The InChIKey is FRXUWMKOYHAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-11(8-16(20)18-12-4-2-3-5-12)25(22,23)13-6-7-14-15(9-13)24-10-17(21)19-14/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide?
N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide has a molecular weight of 366.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide is sourced from PubChem (CID 126459449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).