N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide

C18H24N2O3S — CID 46446841

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(c2ccsc2)N(C)C)cc(OC)c1C
InChIInChI=1S/C18H24N2O3S/c1-12-16(22-4)8-14(9-17(12)23-5)18(21)19-10-15(20(2)3)13-6-7-24-11-13/h6-9,11,15H,10H2,1-5H3,(H,19,21)
InChIKeyQRDQFXKZVOUFDQ-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 46446841) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID46446841
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(c2ccsc2)N(C)C)cc(OC)c1C
InChIInChI=1S/C18H24N2O3S/c1-12-16(22-4)8-14(9-17(12)23-5)18(21)19-10-15(20(2)3)13-6-7-24-11-13/h6-9,11,15H,10H2,1-5H3,(H,19,21)
InChIKeyQRDQFXKZVOUFDQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-nitrobenzamide
CID 32631383
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-5-nitrobenzamide
CID 30856514
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55660315
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide (CID 46446841) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCC(c2ccsc2)N(C)C)cc(OC)c1C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is QRDQFXKZVOUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-16(22-4)8-14(9-17(12)23-5)18(21)19-10-15(20(2)3)13-6-7-24-11-13/h6-9,11,15H,10H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 348.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 46446841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).