propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C20H22N2O4S — CID 53032922

IUPACpropan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOc1cccc(CNC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)c1
InChIInChI=1S/C20H22N2O4S/c1-13(2)26-20(24)17-10-15-7-8-27-19(15)22(17)12-18(23)21-11-14-5-4-6-16(9-14)25-3/h4-10,13H,11-12H2,1-3H3,(H,21,23)
InChIKeyGLPVNLFEOVCGCB-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.59
Rot. Bonds7

About propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 53032922) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID53032922
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Namepropan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOc1cccc(CNC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)c1
InChIInChI=1S/C20H22N2O4S/c1-13(2)26-20(24)17-10-15-7-8-27-19(15)22(17)12-18(23)21-11-14-5-4-6-16(9-14)25-3/h4-10,13H,11-12H2,1-3H3,(H,21,23)
InChIKeyGLPVNLFEOVCGCB-UHFFFAOYSA-N
XLogP3.59
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024505
propan-2-yl 6-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 95055533
propan-2-yl 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 3231917
6-[(3-methoxyphenyl)methyl]-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 93116816
methyl 6-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032952
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50831083
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 53032922) is propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is COc1cccc(CNC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)c1.
What is the InChIKey of propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is GLPVNLFEOVCGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13(2)26-20(24)17-10-15-7-8-27-19(15)22(17)12-18(23)21-11-14-5-4-6-16(9-14)25-3/h4-10,13H,11-12H2,1-3H3,(H,21,23).
What are the key properties of propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 53032922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).