[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

C17H18N2O5S — CID 4785059

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-12-5-2-11(3-6-12)4-7-15(21)24-10-14(20)19-17-13(16(18)22)8-9-25-17/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,18,22)(H,19,20)
InChIKeyZOWUTHCQPNANMT-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.97
Rot. Bonds8

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (PubChem CID 4785059) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
PubChem CID4785059
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-12-5-2-11(3-6-12)4-7-15(21)24-10-14(20)19-17-13(16(18)22)8-9-25-17/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,18,22)(H,19,20)
InChIKeyZOWUTHCQPNANMT-UHFFFAOYSA-N
XLogP1.97
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate (CID 4785059) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
The InChIKey is ZOWUTHCQPNANMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-12-5-2-11(3-6-12)4-7-15(21)24-10-14(20)19-17-13(16(18)22)8-9-25-17/h2-3,5-6,8-9H,4,7,10H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate has a molecular weight of 362.41 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 4785059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).