N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide

C20H20N4O3S — CID 86859015

IUPACN-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H20N4O3S/c1-14(15-8-10-18(11-9-15)28(21,26)27)24(2)20(25)17-12-22-19(23-13-17)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,21,26,27)
InChIKeyKIOVYKNVLUCWGV-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide

N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 86859015) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID86859015
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H20N4O3S/c1-14(15-8-10-18(11-9-15)28(21,26)27)24(2)20(25)17-12-22-19(23-13-17)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,21,26,27)
InChIKeyKIOVYKNVLUCWGV-UHFFFAOYSA-N
XLogP2.62
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41113907
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 95155780
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 109388553

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide (CID 86859015) is N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is KIOVYKNVLUCWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14(15-8-10-18(11-9-15)28(21,26)27)24(2)20(25)17-12-22-19(23-13-17)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,21,26,27).
What are the key properties of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 86859015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).