[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate

C20H16N2O4S — CID 7554569

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H16N2O4S/c21-18(24)16-10-11-27-19(16)22-17(23)12-26-20(25)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,24)(H,22,23)
InChIKeyXRFCFWFDLBRFPH-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.31
Rot. Bonds6

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7554569) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
PubChem CID7554569
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H16N2O4S/c21-18(24)16-10-11-27-19(16)22-17(23)12-26-20(25)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,24)(H,22,23)
InChIKeyXRFCFWFDLBRFPH-UHFFFAOYSA-N
XLogP3.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.31
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] 5-chloro-2-hydroxybenzoate
CID 8604149
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484700
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 3481111
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587001
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 9453608
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4663993

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate (CID 7554569) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is XRFCFWFDLBRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c21-18(24)16-10-11-27-19(16)22-17(23)12-26-20(25)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,24)(H,22,23).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 380.43 g/mol, XLogP of 3.31, 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] 2-phenylbenzoate is sourced from PubChem (CID 7554569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).