N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide

C22H23N5O3S — CID 166173039

IUPACN-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(C3(C(=O)Nc4ccccc4)CCCC3)n2)cc1
InChIInChI=1S/C22H23N5O3S/c23-31(29,30)18-10-8-17(9-11-18)26-21-24-15-12-19(27-21)22(13-4-5-14-22)20(28)25-16-6-2-1-3-7-16/h1-3,6-12,15H,4-5,13-14H2,(H,25,28)(H2,23,29,30)(H,24,26,27)
InChIKeyAWDMNQAYEAHWPX-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.32
Rot. Bonds6

About N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide

N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 166173039) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
PubChem CID166173039
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(C3(C(=O)Nc4ccccc4)CCCC3)n2)cc1
InChIInChI=1S/C22H23N5O3S/c23-31(29,30)18-10-8-17(9-11-18)26-21-24-15-12-19(27-21)22(13-4-5-14-22)20(28)25-16-6-2-1-3-7-16/h1-3,6-12,15H,4-5,13-14H2,(H,25,28)(H2,23,29,30)(H,24,26,27)
InChIKeyAWDMNQAYEAHWPX-UHFFFAOYSA-N
XLogP3.32
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173003
N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173014
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
CID 9440930
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
4-[[4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10114338
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide
CID 10555372
2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 171988640
1-N'-(4-fluorophenyl)-1-N'-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 165176697
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide (CID 166173039) is N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide is NS(=O)(=O)c1ccc(Nc2nccc(C3(C(=O)Nc4ccccc4)CCCC3)n2)cc1.
What is the InChIKey of N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is AWDMNQAYEAHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c23-31(29,30)18-10-8-17(9-11-18)26-21-24-15-12-19(27-21)22(13-4-5-14-22)20(28)25-16-6-2-1-3-7-16/h1-3,6-12,15H,4-5,13-14H2,(H,25,28)(H2,23,29,30)(H,24,26,27).
What are the key properties of N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 166173039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).