1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H16N4O3S2 — CID 5308659

IUPAC1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N4O3S2/c22-16(20-17-19-9-11-25-17)13-6-3-10-21(13)26(23,24)14-7-1-4-12-5-2-8-18-15(12)14/h1-2,4-5,7-9,11,13H,3,6,10H2,(H,19,20,22)
InChIKeySOSPKVOHCGLRQW-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.48
Rot. Bonds4

About 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 5308659) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID5308659
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N4O3S2/c22-16(20-17-19-9-11-25-17)13-6-3-10-21(13)26(23,24)14-7-1-4-12-5-2-8-18-15(12)14/h1-2,4-5,7-9,11,13H,3,6,10H2,(H,19,20,22)
InChIKeySOSPKVOHCGLRQW-UHFFFAOYSA-N
XLogP2.48
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(indolin-1-ylsulfonyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 4159447
N-(6-methyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 5307678
2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 5308399
1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 5308468
Ethyl 2-[2-[[2-[methyl(quinolin-8-ylsulfonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 5308880
N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-[2-oxo-4-(quinoline-8-sulfonyl)-piperazin-1-yl]-acetamide
CID 44376417
2-amino-N-[5-[5-(benzenesulfonamido)-6-methyl-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 145951830
(2R)-2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 145955070
(2S)-2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 145959429
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4782980
N-(5-bromo-1,3-thiazol-2-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 5309893
N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide
CID 70789536

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 5308659) is 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is SOSPKVOHCGLRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c22-16(20-17-19-9-11-25-17)13-6-3-10-21(13)26(23,24)14-7-1-4-12-5-2-8-18-15(12)14/h1-2,4-5,7-9,11,13H,3,6,10H2,(H,19,20,22).
What are the key properties of 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5308659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).