[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C17H17N3O5S — CID 9363758

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C17H17N3O5S/c1-10-3-2-4-11(7-10)16(24)19-8-14(22)25-9-13(21)20-17-12(15(18)23)5-6-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyFEZQEQBZNYFNSI-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.07
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 9363758) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID9363758
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C17H17N3O5S/c1-10-3-2-4-11(7-10)16(24)19-8-14(22)25-9-13(21)20-17-12(15(18)23)5-6-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,24)(H,20,21)
InChIKeyFEZQEQBZNYFNSI-UHFFFAOYSA-N
XLogP1.07
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364103
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212510
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363624
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363779
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 9363758) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2sccc2C(N)=O)c1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is FEZQEQBZNYFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-10-3-2-4-11(7-10)16(24)19-8-14(22)25-9-13(21)20-17-12(15(18)23)5-6-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,24)(H,20,21).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 375.41 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 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] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 9363758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).