N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide

C19H23N3O2S — CID 112794111

IUPACN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)N(CC(N)=O)C(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)22(11-17(20)23)19(24)15-6-5-9-21-18(15)25-16-8-7-13(3)10-14(16)4/h5-10,12H,11H2,1-4H3,(H2,20,23)
InChIKeyUNRBZHHTGUUEGO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.19
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 112794111) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID112794111
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)N(CC(N)=O)C(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)22(11-17(20)23)19(24)15-6-5-9-21-18(15)25-16-8-7-13(3)10-14(16)4/h5-10,12H,11H2,1-4H3,(H2,20,23)
InChIKeyUNRBZHHTGUUEGO-UHFFFAOYSA-N
XLogP3.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
CID 52895221
2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 32615829
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
CID 112794088
(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114056813
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 103865091
N-butyl-1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55949770
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide (CID 112794111) is N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)N(CC(N)=O)C(C)C)c(C)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UNRBZHHTGUUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)22(11-17(20)23)19(24)15-6-5-9-21-18(15)25-16-8-7-13(3)10-14(16)4/h5-10,12H,11H2,1-4H3,(H2,20,23).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 112794111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).