N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide

C15H17N3O3S2 — CID 1213365

IUPACN-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H17N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h6-9H,2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeySDXLBDMDOWTGCG-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.78
Rot. Bonds4

About N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide

N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1213365) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1213365
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C15H17N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h6-9H,2-5H2,1H3,(H,16,19)(H,17,18)
InChIKeySDXLBDMDOWTGCG-UHFFFAOYSA-N
XLogP2.78
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
CID 44298787
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
N-[4-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 459119
N-{6-[(diallylamino)sulfonyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
CID 993382
4-methyl-N-phenyl-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
CID 1973868
N-(6-(piperidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)butyramide
CID 2138904
N-{4'-methyl-2-[(4-sulfamoylphenyl)amino]-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 2226096
1-(4-Fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea
CID 9438152
1-(2-Fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea
CID 9516681
N-(4-methyl-5-{2-[(4-sulfamoylphenyl)amino](1,3-thiazol-4-yl)}-1,3-thiazol-2-y l)acetamide, bromide
CID 16238141
2-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)acetamide
CID 1252684

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide (CID 1213365) is N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SDXLBDMDOWTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-10(19)16-11-6-8-12(9-7-11)23(20,21)18-15-17-13-4-2-3-5-14(13)22-15/h6-9H,2-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide?
N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1213365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).