N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide

C23H24N4O3S — CID 58727323

IUPACN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)N2CCSCC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-17-2-8-20(9-3-17)27(23(29)26-10-12-31-13-11-26)14-22(28)25-19-6-4-18(5-7-19)21-15-30-16-24-21/h2-9,15-16H,10-14H2,1H3,(H,25,28)
InChIKeyFCDQMWKYLTUZBF-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.26
Rot. Bonds5

About N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide

N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide (PubChem CID 58727323) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide
PubChem CID58727323
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)N2CCSCC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-17-2-8-20(9-3-17)27(23(29)26-10-12-31-13-11-26)14-22(28)25-19-6-4-18(5-7-19)21-15-30-16-24-21/h2-9,15-16H,10-14H2,1H3,(H,25,28)
InChIKeyFCDQMWKYLTUZBF-UHFFFAOYSA-N
XLogP4.26
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 58727334
4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 58727335
N-(2-fluoro-4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 90947373
N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide
CID 58727343
N-(3,5-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
CID 11663016
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-(3,5-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 146419243
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56578893
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide (CID 58727323) is N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide is Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)N2CCSCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide?
The InChIKey is FCDQMWKYLTUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-17-2-8-20(9-3-17)27(23(29)26-10-12-31-13-11-26)14-22(28)25-19-6-4-18(5-7-19)21-15-30-16-24-21/h2-9,15-16H,10-14H2,1H3,(H,25,28).
What are the key properties of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide?
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 58727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).