N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide

C17H22N2O3S — CID 16931120

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C17H22N2O3S/c1-19(2)13(12-8-9-23-11-12)10-18-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-9,11,13H,10H2,1-4H3,(H,18,20)
InChIKeyMRDRVVIPRAGGOA-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.80
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide (PubChem CID 16931120) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
PubChem CID16931120
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C17H22N2O3S/c1-19(2)13(12-8-9-23-11-12)10-18-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-9,11,13H,10H2,1-4H3,(H,18,20)
InChIKeyMRDRVVIPRAGGOA-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 32632343
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-nitrobenzamide
CID 32631383
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-5-nitrobenzamide
CID 30856514
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide (CID 16931120) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide?
The InChIKey is MRDRVVIPRAGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-19(2)13(12-8-9-23-11-12)10-18-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-9,11,13H,10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide has a molecular weight of 334.44 g/mol, XLogP of 2.80, 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]-2,6-dimethoxybenzamide is sourced from PubChem (CID 16931120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).