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

C19H26N2O4S2 — CID 46276292

IUPACN-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
SMILESCC(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C19H26N2O4S2/c1-13(10-19(23)21(2)14-6-4-3-5-7-14)27(24,25)15-8-9-17-16(11-15)20-18(22)12-26-17/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,20,22)
InChIKeyUMTHMGXVLTVBPH-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.07
Rot. Bonds5

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

N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide (PubChem CID 46276292) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
PubChem CID46276292
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
SMILESCC(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C19H26N2O4S2/c1-13(10-19(23)21(2)14-6-4-3-5-7-14)27(24,25)15-8-9-17-16(11-15)20-18(22)12-26-17/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,20,22)
InChIKeyUMTHMGXVLTVBPH-UHFFFAOYSA-N
XLogP3.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.07
H-Bond Donors ≤ 51
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
N-cyclopentyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 46276291
N-cycloheptyl-2-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20923258
(3S)-N-cyclopentyl-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanamide
CID 95089952
7-[4-(4-methylpiperidin-1-yl)-4-oxobutan-2-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 53122035
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
N-(2-ethylphenyl)-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]butanamide
CID 53122026

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide (CID 46276292) is N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide is CC(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
The InChIKey is UMTHMGXVLTVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-13(10-19(23)21(2)14-6-4-3-5-7-14)27(24,25)15-8-9-17-16(11-15)20-18(22)12-26-17/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide?
N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide has a molecular weight of 410.56 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide is sourced from PubChem (CID 46276292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).