4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide

C20H25N3O4S — CID 46457488

IUPAC4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-4-9-19(14-16(15)2)28(25,26)23-12-10-22(11-13-23)20(24)21-17-5-7-18(27-3)8-6-17/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyDSIRSNXLOLGHJL-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.85
Rot. Bonds4

About 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 46457488) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID46457488
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-4-9-19(14-16(15)2)28(25,26)23-12-10-22(11-13-23)20(24)21-17-5-7-18(27-3)8-6-17/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyDSIRSNXLOLGHJL-UHFFFAOYSA-N
XLogP2.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide
CID 30938051
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 71903893
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 46457488) is 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is DSIRSNXLOLGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-4-9-19(14-16(15)2)28(25,26)23-12-10-22(11-13-23)20(24)21-17-5-7-18(27-3)8-6-17/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46457488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).