N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

C21H17NO5S — CID 26355022

IUPACN-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H17NO5S/c23-20(14-26-16-7-5-15-6-8-21(24)27-19(15)11-16)22(12-17-3-1-9-25-17)13-18-4-2-10-28-18/h1-11H,12-14H2
InChIKeyGICHIRWZRFTCCB-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.06
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 26355022) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID26355022
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC NameN-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C21H17NO5S/c23-20(14-26-16-7-5-15-6-8-21(24)27-19(15)11-16)22(12-17-3-1-9-25-17)13-18-4-2-10-28-18/h1-11H,12-14H2
InChIKeyGICHIRWZRFTCCB-UHFFFAOYSA-N
XLogP4.06
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 33122488
N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 30805544
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
7-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethoxy]chromen-2-one
CID 8536228

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (CID 26355022) is N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GICHIRWZRFTCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5S/c23-20(14-26-16-7-5-15-6-8-21(24)27-19(15)11-16)22(12-17-3-1-9-25-17)13-18-4-2-10-28-18/h1-11H,12-14H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 395.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 26355022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).