4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C18H22N4O4S — CID 27869227

IUPAC4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyDGIDUHYNYYNKIT-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.70
Rot. Bonds4

About 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 27869227) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID27869227
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyDGIDUHYNYYNKIT-UHFFFAOYSA-N
XLogP1.70
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 27869227) is 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is DGIDUHYNYYNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 27869227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).