N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide

C26H24N4O4S — CID 505048

IUPACN-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide
SMILESCN(C)S(=O)(=O)c1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ccncn2)c1
InChIInChI=1S/C26H24N4O4S/c1-29(2)35(33,34)23-9-5-8-22(15-23)30(26(32)16-25(31)24-12-13-27-18-28-24)17-19-10-11-20-6-3-4-7-21(20)14-19/h3-15,18H,16-17H2,1-2H3
InChIKeyIFDXJLIOLOOILV-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.69
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide

N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide (PubChem CID 505048) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide
PubChem CID505048
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide
SMILESCN(C)S(=O)(=O)c1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ccncn2)c1
InChIInChI=1S/C26H24N4O4S/c1-29(2)35(33,34)23-9-5-8-22(15-23)30(26(32)16-25(31)24-12-13-27-18-28-24)17-19-10-11-20-6-3-4-7-21(20)14-19/h3-15,18H,16-17H2,1-2H3
InChIKeyIFDXJLIOLOOILV-UHFFFAOYSA-N
XLogP3.69
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.69
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

4-[2-(dibutylamino)pyrimidin-4-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(7-iodonaphthalen-2-yl)sulfonylbenzamide
CID 70685853
4-[2-(dibutylamino)pyrimidin-4-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-naphthalen-2-ylsulfonylbenzamide
CID 70687971
4-[2-(dibutylamino)-5-methylpyrimidin-4-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-naphthalen-2-ylsulfonylbenzamide
CID 70694215
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[2-(dipropylamino)pyrimidin-4-yl]-N-naphthalen-2-ylsulfonylbenzamide
CID 70696317
3-[[4-(4,4-Dimethyl-1-oxo-2,3-dihydroisoquinolin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 163364236
4-((Z)-3-Naphthalen-2-yl-3-oxo-propenylamino)-N-pyrimidin-2-yl-benzenesulfonamide
CID 1595007
3,4-dimethyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1150954
N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]-4-phenylbenzamide
CID 2491206
4-((E)-3-Naphthalen-1-yl-3-oxo-propenylamino)-N-pyrimidin-2-yl-benzenesulfonamide
CID 16411499
3-[[4-(4,4-dimethyl-1-oxo-2,3-dihydroisoquinolin-6-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
CID 169080987
3-[[4-(4,4-dimethyl-1-oxo-2,3-dihydroisoquinolin-6-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 169081018
N-(4-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504977

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide (CID 505048) is N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide is CN(C)S(=O)(=O)c1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ccncn2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide?
The InChIKey is IFDXJLIOLOOILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-29(2)35(33,34)23-9-5-8-22(15-23)30(26(32)16-25(31)24-12-13-27-18-28-24)17-19-10-11-20-6-3-4-7-21(20)14-19/h3-15,18H,16-17H2,1-2H3.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide?
N-[3-(dimethylsulfamoyl)phenyl]-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide has a molecular weight of 488.57 g/mol, XLogP of 3.69, 8 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-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-4-ylpropanamide is sourced from PubChem (CID 505048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).