[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate

C19H20N2O4S2 — CID 8506625

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESO=C(COC(=O)CSCc1cccs1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H20N2O4S2/c22-17(10-25-18(23)12-26-11-14-4-3-9-27-14)21-16-6-2-1-5-15(16)19(24)20-13-7-8-13/h1-6,9,13H,7-8,10-12H2,(H,20,24)(H,21,22)
InChIKeySYLFWKQBZYHKDU-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.06
Rot. Bonds9

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate (PubChem CID 8506625) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
PubChem CID8506625
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESO=C(COC(=O)CSCc1cccs1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H20N2O4S2/c22-17(10-25-18(23)12-26-11-14-4-3-9-27-14)21-16-6-2-1-5-15(16)19(24)20-13-7-8-13/h1-6,9,13H,7-8,10-12H2,(H,20,24)(H,21,22)
InChIKeySYLFWKQBZYHKDU-UHFFFAOYSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 24557188
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529123
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8505988
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 27926933
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9114369
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066149
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802675
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627861
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 60662463
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate (CID 8506625) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate is O=C(COC(=O)CSCc1cccs1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The InChIKey is SYLFWKQBZYHKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c22-17(10-25-18(23)12-26-11-14-4-3-9-27-14)21-16-6-2-1-5-15(16)19(24)20-13-7-8-13/h1-6,9,13H,7-8,10-12H2,(H,20,24)(H,21,22).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate has a molecular weight of 404.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate is sourced from PubChem (CID 8506625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).