(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

C17H14ClNO5S — CID 7583505

IUPAC(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NC(=O)c1ccccc1
InChIInChI=1S/C17H14ClNO5S/c18-14-8-7-13(25-14)12(20)6-9-16(22)24-10-15(21)19-17(23)11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,19,21,23)
InChIKeyDJVVVVHUTPXDCB-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.86
Rot. Bonds7

About (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (PubChem CID 7583505) has the molecular formula C17H14ClNO5S and a molecular weight of 379.82 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
PubChem CID7583505
Molecular FormulaC17H14ClNO5S
Molecular Weight379.82 g/mol
Exact Mass379.03
IUPAC Name(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NC(=O)c1ccccc1
InChIInChI=1S/C17H14ClNO5S/c18-14-8-7-13(25-14)12(20)6-9-16(22)24-10-15(21)19-17(23)11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,19,21,23)
InChIKeyDJVVVVHUTPXDCB-UHFFFAOYSA-N
XLogP2.86
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate with MolForge

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238052
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274
[2-(2-bromoanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42967054
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238256
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7618205
[2-(2-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583449
[2-(3-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238266
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238039
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503859
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238018
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (CID 7583505) is (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The InChIKey is DJVVVVHUTPXDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S/c18-14-8-7-13(25-14)12(20)6-9-16(22)24-10-15(21)19-17(23)11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,19,21,23).
What are the key properties of (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate has a molecular weight of 379.82 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is sourced from PubChem (CID 7583505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).