[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C17H16N2O4S — CID 8587001

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H16N2O4S/c18-14(21)12-6-9-24-15(12)19-13(20)10-23-16(22)17(7-8-17)11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H2,18,21)(H,19,20)
InChIKeyMJJIQPUNEXGONG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.06
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8587001) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8587001
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H16N2O4S/c18-14(21)12-6-9-24-15(12)19-13(20)10-23-16(22)17(7-8-17)11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H2,18,21)(H,19,20)
InChIKeyMJJIQPUNEXGONG-UHFFFAOYSA-N
XLogP2.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
ethyl 5-ethyl-2-[[2-(1-phenylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 8587247
[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588587
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8951289
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 167798006
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2608578

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8587001) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is NC(=O)c1ccsc1NC(=O)COC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is MJJIQPUNEXGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c18-14(21)12-6-9-24-15(12)19-13(20)10-23-16(22)17(7-8-17)11-4-2-1-3-5-11/h1-6,9H,7-8,10H2,(H2,18,21)(H,19,20).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8587001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).