N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

C17H16N4O3S2 — CID 998049

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-11-10-12(2)19-17(18-11)21-26(23,24)14-7-5-13(6-8-14)20-16(22)15-4-3-9-25-15/h3-10H,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyWUEDPDZKOLWRRN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.21
Rot. Bonds5

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 998049) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID998049
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-11-10-12(2)19-17(18-11)21-26(23,24)14-7-5-13(6-8-14)20-16(22)15-4-3-9-25-15/h3-10H,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyWUEDPDZKOLWRRN-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 2392876
(E)-N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)acrylamide
CID 2147336
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-2-thiophen-2-yl-acetamide
CID 649585
N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 1249019
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 1570196
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 1974920
N-(4,6-dimethyl-2-pyrimidinyl)-4-{[3-oxo-3-(2-thienyl)-1-propen-1-yl]amino}benzenesulfonamide
CID 5347924
N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-carboxamide
CID 1147602
4-((Z)-3-Oxo-3-thiophen-2-yl-propenylamino)-N-pyrimidin-2-yl-benzenesulfonamide
CID 1224208
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2955737
N-(4-((4-(ethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)thiophene-2-carboxamide
CID 44522256
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 2470267

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 998049) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WUEDPDZKOLWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-10-12(2)19-17(18-11)21-26(23,24)14-7-5-13(6-8-14)20-16(22)15-4-3-9-25-15/h3-10H,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 998049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).