[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate

C15H12ClN3O4S — CID 167901005

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C15H12ClN3O4S/c1-19-4-2-3-10(19)13(21)18-12(20)7-23-15(22)9-5-8-6-11(16)24-14(8)17-9/h2-6,17H,7H2,1H3,(H,18,20,21)
InChIKeyQCIWWOPTYOCSLD-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.33
Rot. Bonds4

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 167901005) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID167901005
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C15H12ClN3O4S/c1-19-4-2-3-10(19)13(21)18-12(20)7-23-15(22)9-5-8-6-11(16)24-14(8)17-9/h2-6,17H,7H2,1H3,(H,18,20,21)
InChIKeyQCIWWOPTYOCSLD-UHFFFAOYSA-N
XLogP2.33
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 2642856
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2438228
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238052
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936391
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359007
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527320
4-O-ethyl 2-O-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278346
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16543101
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11909138

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate (CID 167901005) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate is Cn1cccc1C(=O)NC(=O)COC(=O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is QCIWWOPTYOCSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c1-19-4-2-3-10(19)13(21)18-12(20)7-23-15(22)9-5-8-6-11(16)24-14(8)17-9/h2-6,17H,7H2,1H3,(H,18,20,21).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 365.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 167901005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).