2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide

C18H24N4O3S — CID 68951671

IUPAC2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide
SMILESCS(=O)(=O)NC1=NCC(c2ccc(C(N)=O)c(C3=CCCCC3)c2)CN1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)22-18-20-10-14(11-21-18)13-7-8-15(17(19)23)16(9-13)12-5-3-2-4-6-12/h5,7-9,14H,2-4,6,10-11H2,1H3,(H2,19,23)(H2,20,21,22)
InChIKeyIPWXGIFHJKZFLD-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.33
Rot. Bonds4

About 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide

2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide (PubChem CID 68951671) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide
PubChem CID68951671
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide
SMILESCS(=O)(=O)NC1=NCC(c2ccc(C(N)=O)c(C3=CCCCC3)c2)CN1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)22-18-20-10-14(11-21-18)13-7-8-15(17(19)23)16(9-13)12-5-3-2-4-6-12/h5,7-9,14H,2-4,6,10-11H2,1H3,(H2,19,23)(H2,20,21,22)
InChIKeyIPWXGIFHJKZFLD-UHFFFAOYSA-N
XLogP1.33
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide 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 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide?
The IUPAC name of 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide (CID 68951671) is 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide is CS(=O)(=O)NC1=NCC(c2ccc(C(N)=O)c(C3=CCCCC3)c2)CN1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide?
The InChIKey is IPWXGIFHJKZFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(24,25)22-18-20-10-14(11-21-18)13-7-8-15(17(19)23)16(9-13)12-5-3-2-4-6-12/h5,7-9,14H,2-4,6,10-11H2,1H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide?
2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,4,5,6-tetrahydropyrimidin-5-yl]benzamide is sourced from PubChem (CID 68951671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).