[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

C16H15ClN2O5S — CID 7238052

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2O5S/c1-19-8-2-3-10(19)16(23)18-14(21)9-24-15(22)7-4-11(20)12-5-6-13(17)25-12/h2-3,5-6,8H,4,7,9H2,1H3,(H,18,21,23)
InChIKeyVVVUNYIBZDQOTD-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.20
Rot. Bonds7

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (PubChem CID 7238052) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
PubChem CID7238052
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2O5S/c1-19-8-2-3-10(19)16(23)18-14(21)9-24-15(22)7-4-11(20)12-5-6-13(17)25-12/h2-3,5-6,8H,4,7,9H2,1H3,(H,18,21,23)
InChIKeyVVVUNYIBZDQOTD-UHFFFAOYSA-N
XLogP2.20
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate with MolForge

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Related Compounds

(2-benzamido-2-oxoethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583505
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate
CID 47012052
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7618205
[2-(3-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238266
[2-(2-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583449
[2-(2-bromoanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42967054
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583413
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238256
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238039
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2547797
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (CID 7238052) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is Cn1cccc1C(=O)NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The InChIKey is VVVUNYIBZDQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-19-8-2-3-10(19)16(23)18-14(21)9-24-15(22)7-4-11(20)12-5-6-13(17)25-12/h2-3,5-6,8H,4,7,9H2,1H3,(H,18,21,23).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate has a molecular weight of 382.83 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is sourced from PubChem (CID 7238052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).