N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide

C20H22N4OS — CID 46568943

IUPACN-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
SMILESCc1nc2ccccc2nc1SC(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N4OS/c1-13-20(23-18-8-6-5-7-17(18)21-13)26-14(2)19(25)22-15-9-11-16(12-10-15)24(3)4/h5-12,14H,1-4H3,(H,22,25)
InChIKeyMDDKCIQKDYIFLU-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.12
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide

N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide (PubChem CID 46568943) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
PubChem CID46568943
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
SMILESCc1nc2ccccc2nc1SC(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N4OS/c1-13-20(23-18-8-6-5-7-17(18)21-13)26-14(2)19(25)22-15-9-11-16(12-10-15)24(3)4/h5-12,14H,1-4H3,(H,22,25)
InChIKeyMDDKCIQKDYIFLU-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
CID 134060325
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
(2R)-N-[4-(dimethylamino)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 25346938
(2R)-N-[4-(dimethylamino)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2622659
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
(2R)-N-[4-(dimethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41036926
(2R)-N-[4-(dimethylamino)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 25409442
2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42883944
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152241

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide (CID 46568943) is N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide is Cc1nc2ccccc2nc1SC(C)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
The InChIKey is MDDKCIQKDYIFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13-20(23-18-8-6-5-7-17(18)21-13)26-14(2)19(25)22-15-9-11-16(12-10-15)24(3)4/h5-12,14H,1-4H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide has a molecular weight of 366.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46568943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).