N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C18H17N3O4S3 — CID 46535382

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C18H17N3O4S3/c1-25-16-5-4-13(28(23,24)21-12-2-3-12)8-14(16)19-17(22)15-10-27-18(20-15)11-6-7-26-9-11/h4-10,12,21H,2-3H2,1H3,(H,19,22)
InChIKeyVYBMTDXOMGAMGB-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.57
Rot. Bonds7

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 46535382) has the molecular formula C18H17N3O4S3 and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID46535382
Molecular FormulaC18H17N3O4S3
Molecular Weight435.55 g/mol
Exact Mass435.04
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C18H17N3O4S3/c1-25-16-5-4-13(28(23,24)21-12-2-3-12)8-14(16)19-17(22)15-10-27-18(20-15)11-6-7-26-9-11/h4-10,12,21H,2-3H2,1H3,(H,19,22)
InChIKeyVYBMTDXOMGAMGB-UHFFFAOYSA-N
XLogP3.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78877116
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574013
3-(cyclopropylsulfamoyl)-4-methoxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 56503326
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 33159779
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 46535382) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is VYBMTDXOMGAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S3/c1-25-16-5-4-13(28(23,24)21-12-2-3-12)8-14(16)19-17(22)15-10-27-18(20-15)11-6-7-26-9-11/h4-10,12,21H,2-3H2,1H3,(H,19,22).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46535382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).