N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide

C16H15N3O3S2 — CID 1160306

IUPACN-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C16H15N3O3S2/c1-10-3-6-13(7-4-10)24(21,22)19-16-18-14-8-5-12(17-11(2)20)9-15(14)23-16/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyRTMFKKMCKHVPBF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.36
Rot. Bonds4

About N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide

N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide (PubChem CID 1160306) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide
PubChem CID1160306
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C16H15N3O3S2/c1-10-3-6-13(7-4-10)24(21,22)19-16-18-14-8-5-12(17-11(2)20)9-15(14)23-16/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyRTMFKKMCKHVPBF-UHFFFAOYSA-N
XLogP3.36
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide (CID 1160306) is N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide is CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is RTMFKKMCKHVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-10-3-6-13(7-4-10)24(21,22)19-16-18-14-8-5-12(17-11(2)20)9-15(14)23-16/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide?
N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 1160306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).