N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

C19H23N3O5S — CID 17379494

IUPACN-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H23N3O5S/c1-26-15-7-9-16(10-8-15)28(24,25)22-13-11-21(12-14-22)19(23)20-17-5-3-4-6-18(17)27-2/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyBMZZFHBJAAZBCF-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.24
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 17379494) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID17379494
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H23N3O5S/c1-26-15-7-9-16(10-8-15)28(24,25)22-13-11-21(12-14-22)19(23)20-17-5-3-4-6-18(17)27-2/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyBMZZFHBJAAZBCF-UHFFFAOYSA-N
XLogP2.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 17379494) is N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is BMZZFHBJAAZBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-26-15-7-9-16(10-8-15)28(24,25)22-13-11-21(12-14-22)19(23)20-17-5-3-4-6-18(17)27-2/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 17379494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).