N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C26H27N3O3S — CID 41194380

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H27N3O3S/c30-26(27-23-14-15-28(19-23)18-20-7-2-1-3-8-20)22-10-6-11-24(17-22)33(31,32)29-16-13-21-9-4-5-12-25(21)29/h1-12,17,23H,13-16,18-19H2,(H,27,30)/t23-/m1/s1
InChIKeySSXPLGUDQNKZLR-HSZRJFAPSA-N
MW461.59 g/mol
LogP3.44
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 41194380) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID41194380
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H27N3O3S/c30-26(27-23-14-15-28(19-23)18-20-7-2-1-3-8-20)22-10-6-11-24(17-22)33(31,32)29-16-13-21-9-4-5-12-25(21)29/h1-12,17,23H,13-16,18-19H2,(H,27,30)/t23-/m1/s1
InChIKeySSXPLGUDQNKZLR-HSZRJFAPSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
CID 41202634
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2433897
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
CID 53160533
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 24542710
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 41194380) is N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is SSXPLGUDQNKZLR-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-26(27-23-14-15-28(19-23)18-20-7-2-1-3-8-20)22-10-6-11-24(17-22)33(31,32)29-16-13-21-9-4-5-12-25(21)29/h1-12,17,23H,13-16,18-19H2,(H,27,30)/t23-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 461.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 41194380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).