3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide

C23H25N5O6S — CID 17191722

IUPAC3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C23H25N5O6S/c1-15-8-10-25-23(26-15)28-35(31,32)20-6-4-17(5-7-20)27-21(29)9-11-24-22(30)16-12-18(33-2)14-19(13-16)34-3/h4-8,10,12-14H,9,11H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28)
InChIKeyPELFVZYRSGSDSY-UHFFFAOYSA-N
MW499.55 g/mol
LogP2.36
Rot. Bonds10

About 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide

3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide (PubChem CID 17191722) has the molecular formula C23H25N5O6S and a molecular weight of 499.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide
PubChem CID17191722
Molecular FormulaC23H25N5O6S
Molecular Weight499.55 g/mol
Exact Mass499.15
IUPAC Name3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C23H25N5O6S/c1-15-8-10-25-23(26-15)28-35(31,32)20-6-4-17(5-7-20)27-21(29)9-11-24-22(30)16-12-18(33-2)14-19(13-16)34-3/h4-8,10,12-14H,9,11H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28)
InChIKeyPELFVZYRSGSDSY-UHFFFAOYSA-N
XLogP2.36
TPSA148.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide;hydrochloride
CID 163328969
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30390308
methyl 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoate
CID 3492477
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 46770048
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide (CID 17191722) is 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide is COc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The InChIKey is PELFVZYRSGSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6S/c1-15-8-10-25-23(26-15)28-35(31,32)20-6-4-17(5-7-20)27-21(29)9-11-24-22(30)16-12-18(33-2)14-19(13-16)34-3/h4-8,10,12-14H,9,11H2,1-3H3,(H,24,30)(H,27,29)(H,25,26,28).
What are the key properties of 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide has a molecular weight of 499.55 g/mol, XLogP of 2.36, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 17191722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).