N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide

C20H21NO4S — CID 90583211

IUPACN-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCc2cccs2)Cc2ccoc2)cc1OC
InChIInChI=1S/C20H21NO4S/c1-23-18-6-5-16(12-19(18)24-2)20(22)21(13-15-8-10-25-14-15)9-7-17-4-3-11-26-17/h3-6,8,10-12,14H,7,9,13H2,1-2H3
InChIKeyGVALAIJDHIASRS-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.24
Rot. Bonds8

About N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide

N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90583211) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90583211
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC NameN-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCc2cccs2)Cc2ccoc2)cc1OC
InChIInChI=1S/C20H21NO4S/c1-23-18-6-5-16(12-19(18)24-2)20(22)21(13-15-8-10-25-14-15)9-7-17-4-3-11-26-17/h3-6,8,10-12,14H,7,9,13H2,1-2H3
InChIKeyGVALAIJDHIASRS-UHFFFAOYSA-N
XLogP4.24
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 72717963
N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90583280
2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 71804179
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
N-(furan-3-ylmethyl)-2-phenoxy-N-(2-thiophen-2-ylethyl)propanamide
CID 71804174
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-prop-2-enylbenzamide
CID 4032693
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 71804056

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 90583211) is N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide is COc1ccc(C(=O)N(CCc2cccs2)Cc2ccoc2)cc1OC.
What is the InChIKey of N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is GVALAIJDHIASRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-23-18-6-5-16(12-19(18)24-2)20(22)21(13-15-8-10-25-14-15)9-7-17-4-3-11-26-17/h3-6,8,10-12,14H,7,9,13H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide?
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90583211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).