4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C28H31N3O6S2 — CID 4541428

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C28H31N3O6S2/c1-37-27-16-15-24(38(33,34)30-17-5-2-6-18-30)20-25(27)29-28(32)22-11-13-23(14-12-22)39(35,36)31-19-7-9-21-8-3-4-10-26(21)31/h3-4,8,10-16,20H,2,5-7,9,17-19H2,1H3,(H,29,32)
InChIKeyFHLKLODZLOOJOD-UHFFFAOYSA-N
MW569.71 g/mol
LogP4.26
Rot. Bonds7

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4541428) has the molecular formula C28H31N3O6S2 and a molecular weight of 569.71 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4541428
Molecular FormulaC28H31N3O6S2
Molecular Weight569.71 g/mol
Exact Mass569.17
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C28H31N3O6S2/c1-37-27-16-15-24(38(33,34)30-17-5-2-6-18-30)20-25(27)29-28(32)22-11-13-23(14-12-22)39(35,36)31-19-7-9-21-8-3-4-10-26(21)31/h3-4,8,10-16,20H,2,5-7,9,17-19H2,1H3,(H,29,32)
InChIKeyFHLKLODZLOOJOD-UHFFFAOYSA-N
XLogP4.26
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.71
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92682610
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 5187446
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559494

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4541428) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is FHLKLODZLOOJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6S2/c1-37-27-16-15-24(38(33,34)30-17-5-2-6-18-30)20-25(27)29-28(32)22-11-13-23(14-12-22)39(35,36)31-19-7-9-21-8-3-4-10-26(21)31/h3-4,8,10-16,20H,2,5-7,9,17-19H2,1H3,(H,29,32).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 569.71 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4541428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).