5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

C18H19N5O3S2 — CID 11517293

IUPAC5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)n1
InChIInChI=1S/C18H19N5O3S2/c1-20-18-22-11-9-14(23-18)15-6-7-16(27-15)17(24)21-10-8-12-2-4-13(5-3-12)28(19,25)26/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H2,19,25,26)(H,20,22,23)
InChIKeyRPPLTSGMKAPGNM-UHFFFAOYSA-N
MW417.52 g/mol
LogP1.87
Rot. Bonds7

About 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 11517293) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID11517293
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)n1
InChIInChI=1S/C18H19N5O3S2/c1-20-18-22-11-9-14(23-18)15-6-7-16(27-15)17(24)21-10-8-12-2-4-13(5-3-12)28(19,25)26/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H2,19,25,26)(H,20,22,23)
InChIKeyRPPLTSGMKAPGNM-UHFFFAOYSA-N
XLogP1.87
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (CID 11517293) is 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)n1.
What is the InChIKey of 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is RPPLTSGMKAPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-20-18-22-11-9-14(23-18)15-6-7-16(27-15)17(24)21-10-8-12-2-4-13(5-3-12)28(19,25)26/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H2,19,25,26)(H,20,22,23).
What are the key properties of 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)pyrimidin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11517293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).