(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide

C23H24N4O3S — CID 92558351

IUPAC(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
SMILESCc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4snnc4C)CCO3)c2)cc1
InChIInChI=1S/C23H24N4O3S/c1-15-6-8-18(9-7-15)19-5-3-4-17(12-19)13-23(22(24)29)14-27(10-11-30-23)21(28)20-16(2)25-26-31-20/h3-9,12H,10-11,13-14H2,1-2H3,(H2,24,29)/t23-/m0/s1
InChIKeyLEZXOZDNQYNESA-QHCPKHFHSA-N
MW436.54 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide

(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide (PubChem CID 92558351) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
PubChem CID92558351
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
SMILESCc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4snnc4C)CCO3)c2)cc1
InChIInChI=1S/C23H24N4O3S/c1-15-6-8-18(9-7-15)19-5-3-4-17(12-19)13-23(22(24)29)14-27(10-11-30-23)21(28)20-16(2)25-26-31-20/h3-9,12H,10-11,13-14H2,1-2H3,(H2,24,29)/t23-/m0/s1
InChIKeyLEZXOZDNQYNESA-QHCPKHFHSA-N
XLogP2.76
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92599569
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561011
4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232994
(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide (CID 92558351) is (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide is Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4snnc4C)CCO3)c2)cc1.
What is the InChIKey of (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is LEZXOZDNQYNESA-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-6-8-18(9-7-15)19-5-3-4-17(12-19)13-23(22(24)29)14-27(10-11-30-23)21(28)20-16(2)25-26-31-20/h3-9,12H,10-11,13-14H2,1-2H3,(H2,24,29)/t23-/m0/s1.
What are the key properties of (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide?
(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 92558351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).