2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide

C23H27N3O3S2 — CID 20944864

IUPAC2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide
SMILESCc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1
InChIInChI=1S/C23H27N3O3S2/c1-17-24-21-13-12-20(14-22(21)30-17)31(28,29)26(15-18-8-4-2-5-9-18)16-23(27)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,27)
InChIKeyYABQRDOPQJNANM-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.24
Rot. Bonds7

About 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide

2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide (PubChem CID 20944864) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide
PubChem CID20944864
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide
SMILESCc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1
InChIInChI=1S/C23H27N3O3S2/c1-17-24-21-13-12-20(14-22(21)30-17)31(28,29)26(15-18-8-4-2-5-9-18)16-23(27)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,27)
InChIKeyYABQRDOPQJNANM-UHFFFAOYSA-N
XLogP4.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide 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

2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclopropylacetamide
CID 20944874
N-benzyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazole-6-sulfonamide
CID 20944877
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 2695389
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
CID 126077296
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967406
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 20868809

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide (CID 20944864) is 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide is Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1.
What is the InChIKey of 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide?
The InChIKey is YABQRDOPQJNANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-17-24-21-13-12-20(14-22(21)30-17)31(28,29)26(15-18-8-4-2-5-9-18)16-23(27)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide?
2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide has a molecular weight of 457.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 20944864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).