[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

C19H16ClNO4S — CID 31864106

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H16ClNO4S/c1-21(11-15-3-2-10-24-15)18(22)12-25-19(23)17-9-8-16(26-17)13-4-6-14(20)7-5-13/h2-10H,11-12H2,1H3
InChIKeyPTLZHAPTEAJBIK-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.48
Rot. Bonds6

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 31864106) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID31864106
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H16ClNO4S/c1-21(11-15-3-2-10-24-15)18(22)12-25-19(23)17-9-8-16(26-17)13-4-6-14(20)7-5-13/h2-10H,11-12H2,1H3
InChIKeyPTLZHAPTEAJBIK-UHFFFAOYSA-N
XLogP4.48
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 31864106) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is CN(Cc1ccco1)C(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is PTLZHAPTEAJBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-21(11-15-3-2-10-24-15)18(22)12-25-19(23)17-9-8-16(26-17)13-4-6-14(20)7-5-13/h2-10H,11-12H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 389.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 31864106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).