(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

C20H25N3O5S — CID 166637066

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CNCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-27-16-5-3-15(4-6-16)13-22-20(24)19-14-21-11-12-23(19)29(25,26)18-9-7-17(28-2)8-10-18/h3-10,19,21H,11-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyTWSNFZCBAJHBFN-LJQANCHMSA-N
MW419.50 g/mol
LogP0.98
Rot. Bonds7

About (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 166637066) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID166637066
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CNCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-27-16-5-3-15(4-6-16)13-22-20(24)19-14-21-11-12-23(19)29(25,26)18-9-7-17(28-2)8-10-18/h3-10,19,21H,11-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyTWSNFZCBAJHBFN-LJQANCHMSA-N
XLogP0.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 18675482
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
(2R)-N-[(4-propylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
CID 141192951
methyl 2-[[1-(benzenesulfonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 78455363
(2S)-1-(4-methoxyphenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 42121488
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
1-(4-fluorophenyl)sulfonyl-N-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 118413639

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide (CID 166637066) is (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is COc1ccc(CNC(=O)[C@H]2CNCCN2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is TWSNFZCBAJHBFN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-27-16-5-3-15(4-6-16)13-22-20(24)19-14-21-11-12-23(19)29(25,26)18-9-7-17(28-2)8-10-18/h3-10,19,21H,11-14H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide?
(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 166637066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).