N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide

C26H30N4O4S — CID 505130

IUPACN-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESCC(C)Cc1ccc(CN(C(=O)CC(=O)c2ncccn2)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C26H30N4O4S/c1-19(2)15-20-9-11-21(12-10-20)18-30(25(32)17-24(31)26-27-13-6-14-28-26)22-7-5-8-23(16-22)35(33,34)29(3)4/h5-14,16,19H,15,17-18H2,1-4H3
InChIKeyVATAUVNLFDFFMF-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.73
Rot. Bonds10

About N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide

N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide (PubChem CID 505130) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide
PubChem CID505130
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESCC(C)Cc1ccc(CN(C(=O)CC(=O)c2ncccn2)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C26H30N4O4S/c1-19(2)15-20-9-11-21(12-10-20)18-30(25(32)17-24(31)26-27-13-6-14-28-26)22-7-5-8-23(16-22)35(33,34)29(3)4/h5-14,16,19H,15,17-18H2,1-4H3
InChIKeyVATAUVNLFDFFMF-UHFFFAOYSA-N
XLogP3.73
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1080635
N-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 137645379
3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 2914878
1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497560
N-(4-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504977
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505033
N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide
CID 505048
N-(3-Diethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 505049
N-(3-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504976
N-(3-morpholinosulfonylphenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505030
N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 505031
N-[3-[benzyl(methyl)sulfamoyl]phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505034

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide (CID 505130) is N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide is CC(C)Cc1ccc(CN(C(=O)CC(=O)c2ncccn2)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide?
The InChIKey is VATAUVNLFDFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-19(2)15-20-9-11-21(12-10-20)18-30(25(32)17-24(31)26-27-13-6-14-28-26)22-7-5-8-23(16-22)35(33,34)29(3)4/h5-14,16,19H,15,17-18H2,1-4H3.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide?
N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide has a molecular weight of 494.62 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]-3-oxo-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 505130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).