N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide

C18H24N2OS — CID 32730275

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C
InChIInChI=1S/C18H24N2OS/c1-5-14-11-17(22-13(14)2)18(21)19-12-16(20(3)4)15-9-7-6-8-10-15/h6-11,16H,5,12H2,1-4H3,(H,19,21)/t16-/m1/s1
InChIKeyQDOFSSPEUQCFDL-MRXNPFEDSA-N
MW316.47 g/mol
LogP3.65
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 32730275) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID32730275
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C
InChIInChI=1S/C18H24N2OS/c1-5-14-11-17(22-13(14)2)18(21)19-12-16(20(3)4)15-9-7-6-8-10-15/h6-11,16H,5,12H2,1-4H3,(H,19,21)/t16-/m1/s1
InChIKeyQDOFSSPEUQCFDL-MRXNPFEDSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide
CID 7536278
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 103804649
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
CID 37315774
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-ethyl-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120829701
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide (CID 32730275) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is QDOFSSPEUQCFDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-5-14-11-17(22-13(14)2)18(21)19-12-16(20(3)4)15-9-7-6-8-10-15/h6-11,16H,5,12H2,1-4H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 32730275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).