(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide

C18H23N3O4S2 — CID 95787413

IUPAC(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCc2ccccc21)[C@H]1CSCN1C(=O)C1CCC1
InChIInChI=1S/C18H23N3O4S2/c22-17(16-11-26-12-20(16)18(23)14-6-3-7-14)19-27(24,25)21-10-4-8-13-5-1-2-9-15(13)21/h1-2,5,9,14,16H,3-4,6-8,10-12H2,(H,19,22)/t16-/m1/s1
InChIKeyDVTBYGFRUUTPEM-MRXNPFEDSA-N
MW409.53 g/mol
LogP1.50
Rot. Bonds4

About (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95787413) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95787413
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCc2ccccc21)[C@H]1CSCN1C(=O)C1CCC1
InChIInChI=1S/C18H23N3O4S2/c22-17(16-11-26-12-20(16)18(23)14-6-3-7-14)19-27(24,25)21-10-4-8-13-5-1-2-9-15(13)21/h1-2,5,9,14,16H,3-4,6-8,10-12H2,(H,19,22)/t16-/m1/s1
InChIKeyDVTBYGFRUUTPEM-MRXNPFEDSA-N
XLogP1.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
(4S)-3-(cyclobutanecarbonyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95614265
(4R)-3-(cyclobutanecarbonyl)-N-(dicyclopropylmethyl)-1,3-thiazolidine-4-carboxamide
CID 97068575
1-(5-cyclobutyl-2-methoxy-4-methyl-3-pyridinyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
CID 155224613
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
(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]pyrrolidine-1-carboxamide
CID 22583370

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide (CID 95787413) is (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide is O=C(NS(=O)(=O)N1CCCc2ccccc21)[C@H]1CSCN1C(=O)C1CCC1.
What is the InChIKey of (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DVTBYGFRUUTPEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c22-17(16-11-26-12-20(16)18(23)14-6-3-7-14)19-27(24,25)21-10-4-8-13-5-1-2-9-15(13)21/h1-2,5,9,14,16H,3-4,6-8,10-12H2,(H,19,22)/t16-/m1/s1.
What are the key properties of (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95787413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).