2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide

C18H17N3OS — CID 19059113

IUPAC2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide
SMILESCC(Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H17N3OS/c1-12(23-16-8-6-14(19)7-9-16)18(22)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-12H,19H2,1H3,(H,21,22)
InChIKeyWJDIHHDBWYMKOW-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide

2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide (PubChem CID 19059113) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide
PubChem CID19059113
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide
SMILESCC(Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H17N3OS/c1-12(23-16-8-6-14(19)7-9-16)18(22)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-12H,19H2,1H3,(H,21,22)
InChIKeyWJDIHHDBWYMKOW-UHFFFAOYSA-N
XLogP3.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methyl-4-oxo-4-[4-[(2R)-1-oxo-1-(quinolin-3-ylamino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 93267079
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
3-amino-3-hydroxyimino-2-methyl-N-quinolin-3-ylpropanamide
CID 76949639
(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinolin-3-ylpropanamide
CID 42938023
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
methyl N-quinolin-3-ylcarbamate
CID 19697860
N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
CID 42947736

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide (CID 19059113) is 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide is CC(Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide?
The InChIKey is WJDIHHDBWYMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12(23-16-8-6-14(19)7-9-16)18(22)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-12H,19H2,1H3,(H,21,22).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide?
2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide has a molecular weight of 323.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 19059113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).