1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide

C32H31N3O4S — CID 68884920

IUPAC1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H31N3O4S/c36-31(33-23-25-13-5-1-6-14-25)29-24-34(21-22-35(29)40(38,39)28-19-11-4-12-20-28)32(37)30(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h1-20,29-30H,21-24H2,(H,33,36)
InChIKeyIKIVRXHFUSYAER-UHFFFAOYSA-N
MW553.68 g/mol
LogP4.04
Rot. Bonds8

About 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide

1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide (PubChem CID 68884920) has the molecular formula C32H31N3O4S and a molecular weight of 553.68 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide
PubChem CID68884920
Molecular FormulaC32H31N3O4S
Molecular Weight553.68 g/mol
Exact Mass553.20
IUPAC Name1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H31N3O4S/c36-31(33-23-25-13-5-1-6-14-25)29-24-34(21-22-35(29)40(38,39)28-19-11-4-12-20-28)32(37)30(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h1-20,29-30H,21-24H2,(H,33,36)
InChIKeyIKIVRXHFUSYAER-UHFFFAOYSA-N
XLogP4.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.68
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1,4-bis(benzenesulfonyl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 2864325
(3R)-1-N-benzyl-3-N-[(4-propan-2-ylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1,3-dicarboxamide
CID 67409830
1,4-bis(benzenesulfonyl)-N-(2-phenylethyl)piperazine-2-carboxamide
CID 3105136
(2S)-1,4-bis(benzenesulfonyl)-N-(2-phenylethyl)piperazine-2-carboxamide
CID 6548678
4-acetyl-N-[(4-phenoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperazine-2-carboxamide
CID 67409945
(2S)-N-benzyl-4-(2-chloroacetyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423194
4-(2,2-diphenylacetyl)-1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 58899676
4-acetyl-N-[(4-aminophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperazine-2-carboxamide
CID 25055274
(2R)-N-benzyl-1-(4-nitrophenyl)sulfonylaziridine-2-carboxamide
CID 102025765
1-(benzenesulfonyl)-N-[(3-cyclopropylphenyl)methyl]pyrrolidine-2-carboxamide
CID 70941090
4-(4-propan-2-ylphenyl)sulfonyl-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylic acid
CID 69101937

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide (CID 68884920) is 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide is O=C(NCc1ccccc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide?
The InChIKey is IKIVRXHFUSYAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4S/c36-31(33-23-25-13-5-1-6-14-25)29-24-34(21-22-35(29)40(38,39)28-19-11-4-12-20-28)32(37)30(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h1-20,29-30H,21-24H2,(H,33,36).
What are the key properties of 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide?
1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide has a molecular weight of 553.68 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 68884920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).