2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide

C16H15N3O3S2 — CID 2219880

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N3O3S2/c1-19(24(21,22)12-7-3-2-4-8-12)11-15(20)18-16-17-13-9-5-6-10-14(13)23-16/h2-10H,11H2,1H3,(H,17,18,20)
InChIKeyWRBJNQKVEUNTJW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.56
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide (PubChem CID 2219880) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
PubChem CID2219880
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N3O3S2/c1-19(24(21,22)12-7-3-2-4-8-12)11-15(20)18-16-17-13-9-5-6-10-14(13)23-16/h2-10H,11H2,1H3,(H,17,18,20)
InChIKeyWRBJNQKVEUNTJW-UHFFFAOYSA-N
XLogP2.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 99787381
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 31287787
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691529
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38040224
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
N-[2-[2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 4790820

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide (CID 2219880) is 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide is CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WRBJNQKVEUNTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-19(24(21,22)12-7-3-2-4-8-12)11-15(20)18-16-17-13-9-5-6-10-14(13)23-16/h2-10H,11H2,1H3,(H,17,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2219880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).