6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

C19H19N5O3S — CID 109352293

IUPAC6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H19N5O3S/c20-28(26,27)16-8-6-14(7-9-16)10-11-21-19(25)17-12-18(23-13-22-17)24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,21,25)(H2,20,26,27)(H,22,23,24)
InChIKeyXRZGDXGIKKLXFI-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.84
Rot. Bonds7

About 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109352293) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109352293
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H19N5O3S/c20-28(26,27)16-8-6-14(7-9-16)10-11-21-19(25)17-12-18(23-13-22-17)24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,21,25)(H2,20,26,27)(H,22,23,24)
InChIKeyXRZGDXGIKKLXFI-UHFFFAOYSA-N
XLogP1.84
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(butylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339858
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109350612
N-[2-(dimethylamino)ethyl]-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109344268
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide (CID 109352293) is 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Nc3ccccc3)ncn2)cc1.
What is the InChIKey of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is XRZGDXGIKKLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c20-28(26,27)16-8-6-14(7-9-16)10-11-21-19(25)17-12-18(23-13-22-17)24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,21,25)(H2,20,26,27)(H,22,23,24).
What are the key properties of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide?
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).