(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C24H27N3O3S — CID 50897765

IUPAC(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(C)C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C24H27N3O3S/c1-16(2)19-12-11-17(3)20(15-19)26-24(28)21-9-6-14-27(21)31(29,30)22-10-4-7-18-8-5-13-25-23(18)22/h4-5,7-8,10-13,15-16,21H,6,9,14H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyIHPLUPGCOJHSKV-NRFANRHFSA-N
MW437.57 g/mol
LogP4.46
Rot. Bonds5

About (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 50897765) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID50897765
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(C)C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C24H27N3O3S/c1-16(2)19-12-11-17(3)20(15-19)26-24(28)21-9-6-14-27(21)31(29,30)22-10-4-7-18-8-5-13-25-23(18)22/h4-5,7-8,10-13,15-16,21H,6,9,14H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyIHPLUPGCOJHSKV-NRFANRHFSA-N
XLogP4.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 46119625
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 42758180
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
1-(3,4-dimethoxyphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 108789855
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
CID 5309053
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[(2S)-1-quinolin-8-ylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 22901114
N-(2-fluorophenyl)-5-[(2S)-1-quinolin-8-ylsulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071657

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 50897765) is (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(C(C)C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IHPLUPGCOJHSKV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16(2)19-12-11-17(3)20(15-19)26-24(28)21-9-6-14-27(21)31(29,30)22-10-4-7-18-8-5-13-25-23(18)22/h4-5,7-8,10-13,15-16,21H,6,9,14H2,1-3H3,(H,26,28)/t21-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-5-propan-2-ylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 50897765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).