N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

C17H22N2O4S2 — CID 46276291

IUPACN-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
SMILESCC(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H22N2O4S2/c1-11(8-16(20)18-12-4-2-3-5-12)25(22,23)13-6-7-15-14(9-13)19-17(21)10-24-15/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLZGHRWDRUSIWKP-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.34
Rot. Bonds5

About N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide (PubChem CID 46276291) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
PubChem CID46276291
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
SMILESCC(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H22N2O4S2/c1-11(8-16(20)18-12-4-2-3-5-12)25(22,23)13-6-7-15-14(9-13)19-17(21)10-24-15/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLZGHRWDRUSIWKP-UHFFFAOYSA-N
XLogP2.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-cycloheptyl-2-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20923258
N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 46276292
N-cyclopentyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 126459449
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
N-(4-ethoxyphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]butanamide
CID 126459303
(3S)-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]-N-phenylbutanamide
CID 95090076
N-(4-fluorophenyl)-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanamide
CID 53122030
(3R)-N-(4-methylphenyl)-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanamide
CID 95090064
N-(2-methylcyclohexyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 24791934
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239097

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
The IUPAC name of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide (CID 46276291) is N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide.
What is the SMILES notation for N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
The canonical SMILES for N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide is CC(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
The InChIKey is LZGHRWDRUSIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-11(8-16(20)18-12-4-2-3-5-12)25(22,23)13-6-7-15-14(9-13)19-17(21)10-24-15/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-benzothiazin-6-yl)sulfonyl]butanamide?
N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide has a molecular weight of 382.51 g/mol, XLogP of 2.34, 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-benzothiazin-6-yl)sulfonyl]butanamide is sourced from PubChem (CID 46276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).