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

C18H18N4O4S2 — CID 46325493

IUPACN-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2s1
InChIInChI=1S/C18H18N4O4S2/c1-10-4-6-15(19-11(2)23)17(8-10)28(25,26)22-13-5-7-14-16(9-13)27-18(21-14)20-12(3)24/h4-9,22H,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyLPWOSSXYQWQMHJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.32
Rot. Bonds5

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

N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 46325493) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID46325493
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2s1
InChIInChI=1S/C18H18N4O4S2/c1-10-4-6-15(19-11(2)23)17(8-10)28(25,26)22-13-5-7-14-16(9-13)27-18(21-14)20-12(3)24/h4-9,22H,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyLPWOSSXYQWQMHJ-UHFFFAOYSA-N
XLogP3.32
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325788
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971882
1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382482
N-[6-[(2,5-dimethylphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325673
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7254203
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 141164540
N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325528
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide (CID 46325493) is N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2s1.
What is the InChIKey of N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is LPWOSSXYQWQMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-10-4-6-15(19-11(2)23)17(8-10)28(25,26)22-13-5-7-14-16(9-13)27-18(21-14)20-12(3)24/h4-9,22H,1-3H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide?
N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-acetamido-1,3-benzothiazol-6-yl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 46325493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).