N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide

C16H15N3O4S2 — CID 650448

IUPACN-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1
InChIInChI=1S/C16H15N3O4S2/c1-10(20)17-11-3-6-13(7-4-11)25(21,22)19-16-18-14-8-5-12(23-2)9-15(14)24-16/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyHCNNOCKFPVJTGT-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 650448) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID650448
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1
InChIInChI=1S/C16H15N3O4S2/c1-10(20)17-11-3-6-13(7-4-11)25(21,22)19-16-18-14-8-5-12(23-2)9-15(14)24-16/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyHCNNOCKFPVJTGT-UHFFFAOYSA-N
XLogP3.06
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
Tioxidazole
CID 72157
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 650448) is N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide is COc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1.
What is the InChIKey of N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is HCNNOCKFPVJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-10(20)17-11-3-6-13(7-4-11)25(21,22)19-16-18-14-8-5-12(23-2)9-15(14)24-16/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 650448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).