2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide

C14H18N2O3S2 — CID 3145091

IUPAC2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C14H18N2O3S2/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(21(3,18)19)8-12(11)20-14/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyITXJTXLZHYYCJU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.07
Rot. Bonds5

About 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide

2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide (PubChem CID 3145091) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
PubChem CID3145091
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C14H18N2O3S2/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(21(3,18)19)8-12(11)20-14/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyITXJTXLZHYYCJU-UHFFFAOYSA-N
XLogP3.07
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide
CID 940073
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 1273299
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 7436819
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 1370678
(2R)-2-benzylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 51958104
(2S)-2-(4-chlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 40891449
2-(4-methylpiperazin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 3229460
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 19174341
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide (CID 3145091) is 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide is CCCC(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is ITXJTXLZHYYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-4-5-9(2)13(17)16-14-15-11-7-6-10(21(3,18)19)8-12(11)20-14/h6-9H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide?
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 326.44 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 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 3145091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).