3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

C18H23NO3S — CID 78801031

IUPAC3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CC)Cc2cccs2)cc1OCC
InChIInChI=1S/C18H23NO3S/c1-4-19(13-15-8-7-11-23-15)18(20)14-9-10-16(21-5-2)17(12-14)22-6-3/h7-12H,4-6,13H2,1-3H3
InChIKeyOKSCOPHWXBBRCG-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.21
Rot. Bonds8

About 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78801031) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78801031
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CC)Cc2cccs2)cc1OCC
InChIInChI=1S/C18H23NO3S/c1-4-19(13-15-8-7-11-23-15)18(20)14-9-10-16(21-5-2)17(12-14)22-6-3/h7-12H,4-6,13H2,1-3H3
InChIKeyOKSCOPHWXBBRCG-UHFFFAOYSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119180922
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 61106292
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (CID 78801031) is 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is CCOc1ccc(C(=O)N(CC)Cc2cccs2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OKSCOPHWXBBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-19(13-15-8-7-11-23-15)18(20)14-9-10-16(21-5-2)17(12-14)22-6-3/h7-12H,4-6,13H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 333.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78801031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).