N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide

C32H31N3O4S2 — CID 68885311

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C32H31N3O4S2/c36-31(33-27-18-17-23-10-7-8-15-26(23)27)28-22-34(19-20-35(28)41(38,39)29-16-9-21-40-29)32(37)30(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-16,21,27-28,30H,17-20,22H2,(H,33,36)
InChIKeyBHUMFZMPQDBVJS-UHFFFAOYSA-N
MW585.75 g/mol
LogP4.59
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide (PubChem CID 68885311) has the molecular formula C32H31N3O4S2 and a molecular weight of 585.75 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide
PubChem CID68885311
Molecular FormulaC32H31N3O4S2
Molecular Weight585.75 g/mol
Exact Mass585.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C32H31N3O4S2/c36-31(33-27-18-17-23-10-7-8-15-26(23)27)28-22-34(19-20-35(28)41(38,39)29-16-9-21-40-29)32(37)30(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-16,21,27-28,30H,17-20,22H2,(H,33,36)
InChIKeyBHUMFZMPQDBVJS-UHFFFAOYSA-N
XLogP4.59
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide with MolForge

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Related Compounds

4-(2,2-diphenylacetyl)-N-[4-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide
CID 68885050
2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid
CID 3681718
4-(benzenesulfonyl)-1-N-(4-methylphenyl)-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 134085085
1-(benzenesulfonyl)-N-benzyl-4-(2,2-diphenylacetyl)piperazine-2-carboxamide
CID 68884920
(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 124726712
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
[4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazin-2-yl] N-(3-imidazol-1-ylpropyl)carbamate
CID 68887719
(2S)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2576189
1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 5263889
(4-benzhydrylpiperazin-1-yl)-[(3S)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 98193798
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912781

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide (CID 68885311) is N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide is O=C(NC1CCc2ccccc21)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
The InChIKey is BHUMFZMPQDBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4S2/c36-31(33-27-18-17-23-10-7-8-15-26(23)27)28-22-34(19-20-35(28)41(38,39)29-16-9-21-40-29)32(37)30(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-16,21,27-28,30H,17-20,22H2,(H,33,36).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide has a molecular weight of 585.75 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2-diphenylacetyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 68885311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).