N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide

C20H23N3O3S — CID 22583370

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCC1
InChIInChI=1S/C20H23N3O3S/c24-20(22-13-3-4-14-22)21-17-9-11-18(12-10-17)27(25,26)23-15-5-7-16-6-1-2-8-19(16)23/h1-2,6,8-12H,3-5,7,13-15H2,(H,21,24)
InChIKeyIZHCHBQYSRGIDP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.46
Rot. Bonds3

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 22583370) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID22583370
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCC1
InChIInChI=1S/C20H23N3O3S/c24-20(22-13-3-4-14-22)21-17-9-11-18(12-10-17)27(25,26)23-15-5-7-16-6-1-2-8-19(16)23/h1-2,6,8-12H,3-5,7,13-15H2,(H,21,24)
InChIKeyIZHCHBQYSRGIDP-UHFFFAOYSA-N
XLogP3.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
(2S)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]oxolane-2-carboxamide
CID 1246029
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
1-(3,4-dichlorophenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiourea
CID 25237380
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30267246
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 17225798

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide (CID 22583370) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCC1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is IZHCHBQYSRGIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20(22-13-3-4-14-22)21-17-9-11-18(12-10-17)27(25,26)23-15-5-7-16-6-1-2-8-19(16)23/h1-2,6,8-12H,3-5,7,13-15H2,(H,21,24).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 22583370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).