N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide

C22H19N5O3S2 — CID 11719652

IUPACN-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4cccs4)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3S2/c23-32(29,30)19-9-7-17(8-10-19)26-22-24-12-11-20(27-22)15-3-5-16(6-4-15)25-21(28)14-18-2-1-13-31-18/h1-13H,14H2,(H,25,28)(H2,23,29,30)(H,24,26,27)
InChIKeyMZUCCTLUJWKQJY-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 11719652) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID11719652
Molecular FormulaC22H19N5O3S2
Molecular Weight465.56 g/mol
Exact Mass465.09
IUPAC NameN-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4cccs4)cc3)n2)cc1
InChIInChI=1S/C22H19N5O3S2/c23-32(29,30)19-9-7-17(8-10-19)26-22-24-12-11-20(27-22)15-3-5-16(6-4-15)25-21(28)14-18-2-1-13-31-18/h1-13H,14H2,(H,25,28)(H2,23,29,30)(H,24,26,27)
InChIKeyMZUCCTLUJWKQJY-UHFFFAOYSA-N
XLogP3.78
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
(E)-N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(thiophen-2-yl)acrylamide
CID 2147336
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 2915170
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017
2-phenyl-N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phenyl)acetamide
CID 11568801
N-(2-aminophenyl)-4-((4-(thiophen-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570892
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
N-(2-hydroxyethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890389
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-2-thiophen-2-yl-acetamide
CID 649585

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide (CID 11719652) is N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide is NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4cccs4)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is MZUCCTLUJWKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c23-32(29,30)19-9-7-17(8-10-19)26-22-24-12-11-20(27-22)15-3-5-16(6-4-15)25-21(28)14-18-2-1-13-31-18/h1-13H,14H2,(H,25,28)(H2,23,29,30)(H,24,26,27).
What are the key properties of N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 465.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 11719652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).