N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide

C14H21N3O5S — CID 6471076

IUPACN-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1
InChIInChI=1S/C14H21N3O5S/c1-21-11-4-5-12(13(10-11)22-2)15-14(18)16-6-8-17(9-7-16)23(3,19)20/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyRZVCMOAAWBBEBE-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.81
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 6471076) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID6471076
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1
InChIInChI=1S/C14H21N3O5S/c1-21-11-4-5-12(13(10-11)22-2)15-14(18)16-6-8-17(9-7-16)23(3,19)20/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyRZVCMOAAWBBEBE-UHFFFAOYSA-N
XLogP0.81
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide 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-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide (CID 6471076) is N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is RZVCMOAAWBBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-21-11-4-5-12(13(10-11)22-2)15-14(18)16-6-8-17(9-7-16)23(3,19)20/h4-5,10H,6-9H2,1-3H3,(H,15,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 6471076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).