2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide

C18H23NO2S — CID 138029616

IUPAC2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cc(C)c(CC(=O)N(C)C(CO)Cc2ccccc2)s1
InChIInChI=1S/C18H23NO2S/c1-13-9-14(2)22-17(13)11-18(21)19(3)16(12-20)10-15-7-5-4-6-8-15/h4-9,16,20H,10-12H2,1-3H3
InChIKeyIRCHOROUROVHSK-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.97
Rot. Bonds6

About 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide

2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide (PubChem CID 138029616) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide
PubChem CID138029616
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cc(C)c(CC(=O)N(C)C(CO)Cc2ccccc2)s1
InChIInChI=1S/C18H23NO2S/c1-13-9-14(2)22-17(13)11-18(21)19(3)16(12-20)10-15-7-5-4-6-8-15/h4-9,16,20H,10-12H2,1-3H3
InChIKeyIRCHOROUROVHSK-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
CID 2106709
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-N,3,5-trimethylbenzamide
CID 18663405
tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
3-(2-aminophenyl)-N-methyl-N-(1-phenylbutan-2-yl)propanamide
CID 120611344
4-amino-N-methyl-N-(1-phenylbutan-2-yl)pentanamide;hydrochloride
CID 120563414
(2R)-2-(dipropylamino)-3-phenylpropan-1-ol
CID 107861512
4-(3,5-dimethylthiophen-2-yl)butanoic acid
CID 81157302
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide (CID 138029616) is 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide is Cc1cc(C)c(CC(=O)N(C)C(CO)Cc2ccccc2)s1.
What is the InChIKey of 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide?
The InChIKey is IRCHOROUROVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-13-9-14(2)22-17(13)11-18(21)19(3)16(12-20)10-15-7-5-4-6-8-15/h4-9,16,20H,10-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide?
2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide has a molecular weight of 317.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylthiophen-2-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 138029616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).