2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H13Cl2N5O3S2 — CID 59519337

IUPAC2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C19H13Cl2N5O3S2/c20-9-1-6-12(14(21)7-9)16-13-8-15(30-18(13)26-19(22)25-16)17(27)24-10-2-4-11(5-3-10)31(23,28)29/h1-8H,(H,24,27)(H2,22,25,26)(H2,23,28,29)
InChIKeyFBARDVXNGCKKIT-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.15
Rot. Bonds4

About 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519337) has the molecular formula C19H13Cl2N5O3S2 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519337
Molecular FormulaC19H13Cl2N5O3S2
Molecular Weight494.39 g/mol
Exact Mass492.98
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2n1
InChIInChI=1S/C19H13Cl2N5O3S2/c20-9-1-6-12(14(21)7-9)16-13-8-15(30-18(13)26-19(22)25-16)17(27)24-10-2-4-11(5-3-10)31(23,28)29/h1-8H,(H,24,27)(H2,22,25,26)(H2,23,28,29)
InChIKeyFBARDVXNGCKKIT-UHFFFAOYSA-N
XLogP4.15
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59519337) is 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2ccc(Cl)cc2Cl)c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2n1.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FBARDVXNGCKKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O3S2/c20-9-1-6-12(14(21)7-9)16-13-8-15(30-18(13)26-19(22)25-16)17(27)24-10-2-4-11(5-3-10)31(23,28)29/h1-8H,(H,24,27)(H2,22,25,26)(H2,23,28,29).
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 494.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).