N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

C17H17N3O4S2 — CID 100794232

IUPACN-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1
InChIInChI=1S/C17H17N3O4S2/c1-20(26(22,23)15-6-4-14(24-2)5-7-15)11-17(21)19-13-3-8-16-12(9-13)10-18-25-16/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyVNFYBJPXIUCJBQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.56
Rot. Bonds6

About N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100794232) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID100794232
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1
InChIInChI=1S/C17H17N3O4S2/c1-20(26(22,23)15-6-4-14(24-2)5-7-15)11-17(21)19-13-3-8-16-12(9-13)10-18-25-16/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyVNFYBJPXIUCJBQ-UHFFFAOYSA-N
XLogP2.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-benzothiazol-5-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790245
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 100795907
N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
CID 99823346
N-(1,2-benzothiazol-5-yl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255363
ethyl 2-[4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]phenyl]acetate
CID 100794256
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(1,2-benzothiazol-5-yl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 100796768
N-(1,2-benzothiazol-5-yl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 100792074
N-(1,2-benzothiazol-5-yl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 100797754
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034267

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 100794232) is N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is VNFYBJPXIUCJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-20(26(22,23)15-6-4-14(24-2)5-7-15)11-17(21)19-13-3-8-16-12(9-13)10-18-25-16/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100794232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).