N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide

C15H12N4O3S2 — CID 1182620

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1
InChIInChI=1S/C15H12N4O3S2/c20-14(13-3-1-10-23-13)18-11-4-6-12(7-5-11)24(21,22)19-15-16-8-2-9-17-15/h1-10H,(H,18,20)(H,16,17,19)
InChIKeyJFKBCMLLRYCZIC-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.59
Rot. Bonds5

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 1182620) has the molecular formula C15H12N4O3S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID1182620
Molecular FormulaC15H12N4O3S2
Molecular Weight360.42 g/mol
Exact Mass360.04
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1
InChIInChI=1S/C15H12N4O3S2/c20-14(13-3-1-10-23-13)18-11-4-6-12(7-5-11)24(21,22)19-15-16-8-2-9-17-15/h1-10H,(H,18,20)(H,16,17,19)
InChIKeyJFKBCMLLRYCZIC-UHFFFAOYSA-N
XLogP2.59
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acetylsulfadiazine
CID 64952
N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
Xmu-MP-1
CID 121499143
N-(3-((5-Bromo-4-((3-(thiophene-2-carboxamido)propyl)amino)pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
CID 10347359
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
2-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2462840
(E)-N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)acrylamide
CID 2147336
N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phenyl)-2-(thiophen-2-yl)acetamide
CID 11719652
4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 162477931
4-Diethylsulfamoyl-thiophene-2-carboxylic acid pyridin-2-ylamide
CID 648487

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 1182620) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JFKBCMLLRYCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S2/c20-14(13-3-1-10-23-13)18-11-4-6-12(7-5-11)24(21,22)19-15-16-8-2-9-17-15/h1-10H,(H,18,20)(H,16,17,19).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1182620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).