N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide

C25H29N3O3S2 — CID 46367145

IUPACN-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide
SMILESCCc1ccccc1NC(=O)C(C)Sc1cc(C)c2cc(S(=O)(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C25H29N3O3S2/c1-4-19-9-5-6-10-22(19)27-25(29)18(3)32-24-15-17(2)21-16-20(11-12-23(21)26-24)33(30,31)28-13-7-8-14-28/h5-6,9-12,15-16,18H,4,7-8,13-14H2,1-3H3,(H,27,29)
InChIKeyXNUGMKDQTWIZEE-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.01
Rot. Bonds7

About N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide

N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide (PubChem CID 46367145) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide
PubChem CID46367145
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC NameN-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide
SMILESCCc1ccccc1NC(=O)C(C)Sc1cc(C)c2cc(S(=O)(=O)N3CCCC3)ccc2n1
InChIInChI=1S/C25H29N3O3S2/c1-4-19-9-5-6-10-22(19)27-25(29)18(3)32-24-15-17(2)21-16-20(11-12-23(21)26-24)33(30,31)28-13-7-8-14-28/h5-6,9-12,15-16,18H,4,7-8,13-14H2,1-3H3,(H,27,29)
InChIKeyXNUGMKDQTWIZEE-UHFFFAOYSA-N
XLogP5.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4880552
2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
CID 46367328
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(3-chloro-4-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 20930357
N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367154
N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367156
N-(4-ethoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367129
(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 41327672
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 46367251
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 17443656

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide (CID 46367145) is N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide is CCc1ccccc1NC(=O)C(C)Sc1cc(C)c2cc(S(=O)(=O)N3CCCC3)ccc2n1.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is XNUGMKDQTWIZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-4-19-9-5-6-10-22(19)27-25(29)18(3)32-24-15-17(2)21-16-20(11-12-23(21)26-24)33(30,31)28-13-7-8-14-28/h5-6,9-12,15-16,18H,4,7-8,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide?
N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 483.66 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46367145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).