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

C17H17N3O4S2 — CID 655616

IUPACN-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-3-24-13-6-9-15-16(10-13)25-17(19-15)20-26(22,23)14-7-4-12(5-8-14)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyINLYUQWKXNNRLV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.45
Rot. Bonds6

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

N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 655616) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID655616
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-3-24-13-6-9-15-16(10-13)25-17(19-15)20-26(22,23)14-7-4-12(5-8-14)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyINLYUQWKXNNRLV-UHFFFAOYSA-N
XLogP3.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.45
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
N-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanamide
CID 851643
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 655616) is N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide is CCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1.
What is the InChIKey of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is INLYUQWKXNNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-3-24-13-6-9-15-16(10-13)25-17(19-15)20-26(22,23)14-7-4-12(5-8-14)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 655616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).