N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide

C15H17N3O4S — CID 166644408

IUPACN-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(CO)NC(=O)c2cncnc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-2-23(21,22)13-5-3-11(4-6-13)14(9-19)18-15(20)12-7-16-10-17-8-12/h3-8,10,14,19H,2,9H2,1H3,(H,18,20)
InChIKeyQMARMCQHKLHMEJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.73
Rot. Bonds6

About N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide

N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide (PubChem CID 166644408) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
PubChem CID166644408
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(CO)NC(=O)c2cncnc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-2-23(21,22)13-5-3-11(4-6-13)14(9-19)18-15(20)12-7-16-10-17-8-12/h3-8,10,14,19H,2,9H2,1H3,(H,18,20)
InChIKeyQMARMCQHKLHMEJ-UHFFFAOYSA-N
XLogP0.73
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 163208050
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 175132146
N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 146298006
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-3-fluoro-4-[propan-2-yl(pyridin-2-ylmethyl)amino]benzamide
CID 175144124
N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-[(4-methylcyclohexyl)methoxy]isoquinoline-6-carboxamide
CID 146208740
ethoxycyclohexane;N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;propane
CID 145064772
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 175133925
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-4-yl]benzamide
CID 163208015
6-[(4-ethoxycyclohexyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 126707952
2-[(3,3-difluorocyclobutyl)methoxy]-1-ethyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzimidazole-5-carboxamide
CID 146403474
1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[5-(trifluoromethyl)pyridine-2-carbonyl]indole-5-carboxamide
CID 126522245

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide (CID 166644408) is N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide is CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2cncnc2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The InChIKey is QMARMCQHKLHMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-2-23(21,22)13-5-3-11(4-6-13)14(9-19)18-15(20)12-7-16-10-17-8-12/h3-8,10,14,19H,2,9H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166644408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).