3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide

C18H21NO2S — CID 95964683

IUPAC3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
SMILESCc1ccc([C@H]2OCCC[C@H]2NC(=O)c2sccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-12-5-7-14(8-6-12)16-15(4-3-10-21-16)19-18(20)17-13(2)9-11-22-17/h5-9,11,15-16H,3-4,10H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyLUWCPGBRRLNNGG-HZPDHXFCSA-N
MW315.44 g/mol
LogP4.02
Rot. Bonds3

About 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide

3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide (PubChem CID 95964683) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
PubChem CID95964683
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
SMILESCc1ccc([C@H]2OCCC[C@H]2NC(=O)c2sccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-12-5-7-14(8-6-12)16-15(4-3-10-21-16)19-18(20)17-13(2)9-11-22-17/h5-9,11,15-16H,3-4,10H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyLUWCPGBRRLNNGG-HZPDHXFCSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
N-(2-aminocyclohexyl)-3-methylthiophene-2-carboxamide;hydrochloride
CID 71638238
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
CID 62963070
3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119818112
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
CID 120991542
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
CID 129467980

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide (CID 95964683) is 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide is Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2sccc2C)cc1.
What is the InChIKey of 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide?
The InChIKey is LUWCPGBRRLNNGG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-5-7-14(8-6-12)16-15(4-3-10-21-16)19-18(20)17-13(2)9-11-22-17/h5-9,11,15-16H,3-4,10H2,1-2H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide?
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95964683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).