N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C18H17N3O3S3 — CID 78877116

IUPACN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C18H17N3O3S3/c22-17(16-11-26-18(21-16)13-7-8-25-10-13)20-14-3-5-15(6-4-14)27(23,24)19-9-12-1-2-12/h3-8,10-12,19H,1-2,9H2,(H,20,22)
InChIKeyGXRRDRXTJDYXLU-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 78877116) has the molecular formula C18H17N3O3S3 and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID78877116
Molecular FormulaC18H17N3O3S3
Molecular Weight419.55 g/mol
Exact Mass419.04
IUPAC NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C18H17N3O3S3/c22-17(16-11-26-18(21-16)13-7-8-25-10-13)20-14-3-5-15(6-4-14)27(23,24)19-9-12-1-2-12/h3-8,10-12,19H,1-2,9H2,(H,20,22)
InChIKeyGXRRDRXTJDYXLU-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46535382
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451
N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9083645
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877366
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18089607
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 78877116) is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GXRRDRXTJDYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S3/c22-17(16-11-26-18(21-16)13-7-8-25-10-13)20-14-3-5-15(6-4-14)27(23,24)19-9-12-1-2-12/h3-8,10-12,19H,1-2,9H2,(H,20,22).
What are the key properties of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78877116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).