4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

C15H23N3O4S — CID 110811229

IUPAC4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C15H23N3O4S/c1-3-7-16-15(19)17-8-10-18(11-9-17)23(20,21)14-6-4-5-13(12-14)22-2/h4-6,12H,3,7-11H2,1-2H3,(H,16,19)
InChIKeyBZAYYWOPRPXDMX-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.12
Rot. Bonds5

About 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 110811229) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID110811229
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C15H23N3O4S/c1-3-7-16-15(19)17-8-10-18(11-9-17)23(20,21)14-6-4-5-13(12-14)22-2/h4-6,12H,3,7-11H2,1-2H3,(H,16,19)
InChIKeyBZAYYWOPRPXDMX-UHFFFAOYSA-N
XLogP1.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-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

Related Compounds

2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
CID 61127355
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propylpiperazine-1-carboxamide
CID 4799112
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
1-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797804
ethyl 4-[4-(propylcarbamoyl)piperazin-1-yl]sulfonylbenzoate
CID 4799114
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
4-(4-fluoro-3-methylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811977
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 110811229) is 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is BZAYYWOPRPXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-7-16-15(19)17-8-10-18(11-9-17)23(20,21)14-6-4-5-13(12-14)22-2/h4-6,12H,3,7-11H2,1-2H3,(H,16,19).
What are the key properties of 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110811229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).