N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide

C18H17N3O3S2 — CID 2196104

IUPACN-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-12(22)19-15-6-8-17(9-7-15)26(23,24)21-16-5-3-4-14(10-16)18-11-25-13(2)20-18/h3-11,21H,1-2H3,(H,19,22)
InChIKeyXMRJBRAPEHFBOJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.88
Rot. Bonds5

About N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 2196104) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID2196104
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-12(22)19-15-6-8-17(9-7-15)26(23,24)21-16-5-3-4-14(10-16)18-11-25-13(2)20-18/h3-11,21H,1-2H3,(H,19,22)
InChIKeyXMRJBRAPEHFBOJ-UHFFFAOYSA-N
XLogP3.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{2-[(Benzenesulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10287269
4-Methyl-2-phenyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
CID 2814179
quinolin-2(1H)-one derivative, 17o
CID 22638559
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
2-[5-(Aminosulphonyl)-4-methyl-1,3-thiazol-2-yl]-N-(1,1'-biphenyl-4-yl)-propanamide
CID 10157892
3-(benzenesulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 12005897
N-[4-[3-[(4-oct-1-ynylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
CID 126508527
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-[4-(2-Methyl-thiazol-4-yl)-phenyl]-propionamide
CID 737891
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 1176127
2-(1,3-benzothiazol-2-ylthio)-N-(4-methylphenyl)sulfonylacetamide
CID 1299526

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide (CID 2196104) is N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1.
What is the InChIKey of N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is XMRJBRAPEHFBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12(22)19-15-6-8-17(9-7-15)26(23,24)21-16-5-3-4-14(10-16)18-11-25-13(2)20-18/h3-11,21H,1-2H3,(H,19,22).
What are the key properties of N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2196104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).