N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide

C20H22N4O4S — CID 71463474

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N4O4S/c1-2-13-24(29(27,28)16-11-7-4-8-12-16)17-18(21)23(20(26)22-19(17)25)14-15-9-5-3-6-10-15/h3-12H,2,13-14,21H2,1H3,(H,22,25,26)
InChIKeyCDPBWHZRIWOUGH-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.77
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide (PubChem CID 71463474) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide
PubChem CID71463474
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N4O4S/c1-2-13-24(29(27,28)16-11-7-4-8-12-16)17-18(21)23(20(26)22-19(17)25)14-15-9-5-3-6-10-15/h3-12H,2,13-14,21H2,1H3,(H,22,25,26)
InChIKeyCDPBWHZRIWOUGH-UHFFFAOYSA-N
XLogP1.77
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide (CID 71463474) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide is CCCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide?
The InChIKey is CDPBWHZRIWOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-2-13-24(29(27,28)16-11-7-4-8-12-16)17-18(21)23(20(26)22-19(17)25)14-15-9-5-3-6-10-15/h3-12H,2,13-14,21H2,1H3,(H,22,25,26).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide has a molecular weight of 414.49 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 71463474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).