3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

C26H29N3O3S2 — CID 112765111

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C26H29N3O3S2/c30-26(27-19-24(25-13-7-17-33-25)28-14-3-4-15-28)21-9-5-11-22(18-21)34(31,32)29-16-6-10-20-8-1-2-12-23(20)29/h1-2,5,7-9,11-13,17-18,24H,3-4,6,10,14-16,19H2,(H,27,30)
InChIKeySNJFGYFFUKHOGA-UHFFFAOYSA-N
MW495.67 g/mol
LogP4.46
Rot. Bonds7

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 112765111) has the molecular formula C26H29N3O3S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID112765111
Molecular FormulaC26H29N3O3S2
Molecular Weight495.67 g/mol
Exact Mass495.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C26H29N3O3S2/c30-26(27-19-24(25-13-7-17-33-25)28-14-3-4-15-28)21-9-5-11-22(18-21)34(31,32)29-16-6-10-20-8-1-2-12-23(20)29/h1-2,5,7-9,11-13,17-18,24H,3-4,6,10,14-16,19H2,(H,27,30)
InChIKeySNJFGYFFUKHOGA-UHFFFAOYSA-N
XLogP4.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 2709531
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25362966
3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24640460
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 154770859
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765094
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-(pyridin-2-ylmethyl)benzamide
CID 55341761
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24542498
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide
CID 46423662

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 112765111) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is SNJFGYFFUKHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S2/c30-26(27-19-24(25-13-7-17-33-25)28-14-3-4-15-28)21-9-5-11-22(18-21)34(31,32)29-16-6-10-20-8-1-2-12-23(20)29/h1-2,5,7-9,11-13,17-18,24H,3-4,6,10,14-16,19H2,(H,27,30).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 495.67 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 112765111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).