3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

C26H29N3O4S — CID 25362966

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H29N3O4S/c30-26(27-19-24(25-12-7-17-33-25)28-14-4-1-5-15-28)21-9-6-10-22(18-21)34(31,32)29-16-13-20-8-2-3-11-23(20)29/h2-3,6-12,17-18,24H,1,4-5,13-16,19H2,(H,27,30)/t24-/m1/s1
InChIKeyDBOOQDLRHDDDME-XMMPIXPASA-N
MW479.60 g/mol
LogP3.99
Rot. Bonds7

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 25362966) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID25362966
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H29N3O4S/c30-26(27-19-24(25-12-7-17-33-25)28-14-4-1-5-15-28)21-9-6-10-22(18-21)34(31,32)29-16-13-20-8-2-3-11-23(20)29/h2-3,6-12,17-18,24H,1,4-5,13-16,19H2,(H,27,30)/t24-/m1/s1
InChIKeyDBOOQDLRHDDDME-XMMPIXPASA-N
XLogP3.99
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24542498
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 78867799
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765111
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 2709531
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 34668667
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 24542710
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 25362966) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is DBOOQDLRHDDDME-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N3O4S/c30-26(27-19-24(25-12-7-17-33-25)28-14-4-1-5-15-28)21-9-6-10-22(18-21)34(31,32)29-16-13-20-8-2-3-11-23(20)29/h2-3,6-12,17-18,24H,1,4-5,13-16,19H2,(H,27,30)/t24-/m1/s1.
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 25362966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).