N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

C16H14N4O3S2 — CID 1116828

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C16H14N4O3S2/c1-11-8-9-17-16(18-11)20-25(22,23)13-6-4-12(5-7-13)19-15(21)14-3-2-10-24-14/h2-10H,1H3,(H,19,21)(H,17,18,20)
InChIKeyAOHIUNTVRBNRFV-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1116828) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1116828
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C16H14N4O3S2/c1-11-8-9-17-16(18-11)20-25(22,23)13-6-4-12(5-7-13)19-15(21)14-3-2-10-24-14/h2-10H,1H3,(H,19,21)(H,17,18,20)
InChIKeyAOHIUNTVRBNRFV-UHFFFAOYSA-N
XLogP2.90
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetylsulfamerazine
CID 67181
N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
Xmu-MP-1
CID 121499143
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
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 2392876
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
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890320
N-(3-(dimethylamino)propyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890387
4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 162477931

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 1116828) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AOHIUNTVRBNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-11-8-9-17-16(18-11)20-25(22,23)13-6-4-12(5-7-13)19-15(21)14-3-2-10-24-14/h2-10H,1H3,(H,19,21)(H,17,18,20).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1116828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).