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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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).