[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C19H17N3O5S — CID 2620816

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C19H17N3O5S/c20-17(24)14-7-9-28-18(14)22-16(23)11-27-19(25)13-5-1-2-6-15(13)21-10-12-4-3-8-26-12/h1-9,21H,10-11H2,(H2,20,24)(H,22,23)
InChIKeyNOOHWBNBVKOPGW-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.85
Rot. Bonds8

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 2620816) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID2620816
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C19H17N3O5S/c20-17(24)14-7-9-28-18(14)22-16(23)11-27-19(25)13-5-1-2-6-15(13)21-10-12-4-3-8-26-12/h1-9,21H,10-11H2,(H2,20,24)(H,22,23)
InChIKeyNOOHWBNBVKOPGW-UHFFFAOYSA-N
XLogP2.85
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 2620816) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is NOOHWBNBVKOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c20-17(24)14-7-9-28-18(14)22-16(23)11-27-19(25)13-5-1-2-6-15(13)21-10-12-4-3-8-26-12/h1-9,21H,10-11H2,(H2,20,24)(H,22,23).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 399.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 2620816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).