N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C22H24N2O2S — CID 25234071

IUPACN-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(C(=O)N2CCSc3ccc(C(=O)NC4CCCC4)cc32)cc1
InChIInChI=1S/C22H24N2O2S/c1-15-6-8-16(9-7-15)22(26)24-12-13-27-20-11-10-17(14-19(20)24)21(25)23-18-4-2-3-5-18/h6-11,14,18H,2-5,12-13H2,1H3,(H,23,25)
InChIKeyKJQLPZPNEQGPKR-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.42
Rot. Bonds3

About N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 25234071) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID25234071
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(C(=O)N2CCSc3ccc(C(=O)NC4CCCC4)cc32)cc1
InChIInChI=1S/C22H24N2O2S/c1-15-6-8-16(9-7-15)22(26)24-12-13-27-20-11-10-17(14-19(20)24)21(25)23-18-4-2-3-5-18/h6-11,14,18H,2-5,12-13H2,1H3,(H,23,25)
InChIKeyKJQLPZPNEQGPKR-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876228
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4168928
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3,4-dimethylphenyl)methanone
CID 52575095
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 25234071) is N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is Cc1ccc(C(=O)N2CCSc3ccc(C(=O)NC4CCCC4)cc32)cc1.
What is the InChIKey of N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is KJQLPZPNEQGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-6-8-16(9-7-15)22(26)24-12-13-27-20-11-10-17(14-19(20)24)21(25)23-18-4-2-3-5-18/h6-11,14,18H,2-5,12-13H2,1H3,(H,23,25).
What are the key properties of N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 25234071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).