N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide

C21H23NO5S — CID 18090197

IUPACN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccco2)Cc2cccs2)c(OC)c1OC
InChIInChI=1S/C21H23NO5S/c1-24-18-9-8-15(20(25-2)21(18)26-3)12-19(23)22(13-16-6-4-10-27-16)14-17-7-5-11-28-17/h4-11H,12-14H2,1-3H3
InChIKeyFRCRRRKHGDLFLH-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.14
Rot. Bonds9

About N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 18090197) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID18090197
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC NameN-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccco2)Cc2cccs2)c(OC)c1OC
InChIInChI=1S/C21H23NO5S/c1-24-18-9-8-15(20(25-2)21(18)26-3)12-19(23)22(13-16-6-4-10-27-16)14-17-7-5-11-28-17/h4-11H,12-14H2,1-3H3
InChIKeyFRCRRRKHGDLFLH-UHFFFAOYSA-N
XLogP4.14
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
3-(3-bromo-4-methoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 31836568
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 35537870
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
N-(furan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 31836776
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide (CID 18090197) is N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N(Cc2ccco2)Cc2cccs2)c(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is FRCRRRKHGDLFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5S/c1-24-18-9-8-15(20(25-2)21(18)26-3)12-19(23)22(13-16-6-4-10-27-16)14-17-7-5-11-28-17/h4-11H,12-14H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide?
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 401.48 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18090197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).