N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide

C17H17N3O3S2 — CID 6624557

IUPACN-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C17H17N3O3S2/c1-12-20-15-8-7-14(9-16(15)24-12)25(22,23)19-11-17(21)18-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H,18,21)
InChIKeyJNDRYJMQEGVSOO-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.20
Rot. Bonds6

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

N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide (PubChem CID 6624557) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
PubChem CID6624557
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C17H17N3O3S2/c1-12-20-15-8-7-14(9-16(15)24-12)25(22,23)19-11-17(21)18-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H,18,21)
InChIKeyJNDRYJMQEGVSOO-UHFFFAOYSA-N
XLogP2.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 23603157
N-butyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 23603180
N-benzyl-N-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6620438
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 23603181
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 58839440
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 3235747
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazole-6-sulfonamide
CID 3239139
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
2-(4-bromophenyl)-N-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]acetamide
CID 155967365
4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]pentanamide
CID 20864825

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide (CID 6624557) is N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide is Cc1nc2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)cc2s1.
What is the InChIKey of N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The InChIKey is JNDRYJMQEGVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-12-20-15-8-7-14(9-16(15)24-12)25(22,23)19-11-17(21)18-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide is sourced from PubChem (CID 6624557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).