(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide

C18H24N2OS — CID 95119560

IUPAC(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1cccc([C@@H](C(=O)NCCc2sccc2C)N(C)C)c1
InChIInChI=1S/C18H24N2OS/c1-13-6-5-7-15(12-13)17(20(3)4)18(21)19-10-8-16-14(2)9-11-22-16/h5-7,9,11-12,17H,8,10H2,1-4H3,(H,19,21)/t17-/m0/s1
InChIKeyLYASTRDEHXDMAK-KRWDZBQOSA-N
MW316.47 g/mol
LogP3.33
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 95119560) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
PubChem CID95119560
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1cccc([C@@H](C(=O)NCCc2sccc2C)N(C)C)c1
InChIInChI=1S/C18H24N2OS/c1-13-6-5-7-15(12-13)17(20(3)4)18(21)19-10-8-16-14(2)9-11-22-16/h5-7,9,11-12,17H,8,10H2,1-4H3,(H,19,21)/t17-/m0/s1
InChIKeyLYASTRDEHXDMAK-KRWDZBQOSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 9434199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide (CID 95119560) is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide is Cc1cccc([C@@H](C(=O)NCCc2sccc2C)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is LYASTRDEHXDMAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13-6-5-7-15(12-13)17(20(3)4)18(21)19-10-8-16-14(2)9-11-22-16/h5-7,9,11-12,17H,8,10H2,1-4H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide?
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 316.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 95119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).