3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C28H31N3O3S — CID 55415750

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C28H31N3O3S/c1-29(21-24-11-3-4-15-26(24)30-17-6-7-18-30)28(32)23-12-8-14-25(20-23)35(33,34)31-19-9-13-22-10-2-5-16-27(22)31/h2-5,8,10-12,14-16,20H,6-7,9,13,17-19,21H2,1H3
InChIKeyGIGNNZINYJFBCA-UHFFFAOYSA-N
MW489.64 g/mol
LogP4.70
Rot. Bonds6

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55415750) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55415750
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C28H31N3O3S/c1-29(21-24-11-3-4-15-26(24)30-17-6-7-18-30)28(32)23-12-8-14-25(20-23)35(33,34)31-19-9-13-22-10-2-5-16-27(22)31/h2-5,8,10-12,14-16,20H,6-7,9,13,17-19,21H2,1H3
InChIKeyGIGNNZINYJFBCA-UHFFFAOYSA-N
XLogP4.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072835
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 2556240
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 56504051
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 154770859
N-(4-bromo-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 60575146
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55415750) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is GIGNNZINYJFBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-29(21-24-11-3-4-15-26(24)30-17-6-7-18-30)28(32)23-12-8-14-25(20-23)35(33,34)31-19-9-13-22-10-2-5-16-27(22)31/h2-5,8,10-12,14-16,20H,6-7,9,13,17-19,21H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 489.64 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55415750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).