[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C24H28N4O3S2 — CID 53114974

IUPAC[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCCc4ccccc43)c(C)n2C)sc1C(=O)N1CCCC1
InChIInChI=1S/C24H28N4O3S2/c1-16-22(24(29)27-12-6-7-13-27)32-23(25-16)20-15-21(17(2)26(20)3)33(30,31)28-14-8-10-18-9-4-5-11-19(18)28/h4-5,9,11,15H,6-8,10,12-14H2,1-3H3
InChIKeyQNOPOEFZYAHVLM-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.14
Rot. Bonds4

About [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53114974) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID53114974
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC Name[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCCc4ccccc43)c(C)n2C)sc1C(=O)N1CCCC1
InChIInChI=1S/C24H28N4O3S2/c1-16-22(24(29)27-12-6-7-13-27)32-23(25-16)20-15-21(17(2)26(20)3)33(30,31)28-14-8-10-18-9-4-5-11-19(18)28/h4-5,9,11,15H,6-8,10,12-14H2,1-3H3
InChIKeyQNOPOEFZYAHVLM-UHFFFAOYSA-N
XLogP4.14
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53114912
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 53031474
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53031478
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114946
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-fluorophenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53114907
N-butan-2-yl-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114727
1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)pyrrole-3-sulfonamide
CID 53114874
[2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 95086900
N-cyclohexyl-N,1,2-trimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114875

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 53114974) is [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2cc(S(=O)(=O)N3CCCc4ccccc43)c(C)n2C)sc1C(=O)N1CCCC1.
What is the InChIKey of [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QNOPOEFZYAHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-16-22(24(29)27-12-6-7-13-27)32-23(25-16)20-15-21(17(2)26(20)3)33(30,31)28-14-8-10-18-9-4-5-11-19(18)28/h4-5,9,11,15H,6-8,10,12-14H2,1-3H3.
What are the key properties of [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 484.65 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53114974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).