methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

C16H21ClN2O3S — CID 20883266

IUPACmethyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCCN(CCC)C(=O)Cn1c(C(=O)OC)cc2sc(Cl)cc21
InChIInChI=1S/C16H21ClN2O3S/c1-4-6-18(7-5-2)15(20)10-19-11-9-14(17)23-13(11)8-12(19)16(21)22-3/h8-9H,4-7,10H2,1-3H3
InChIKeyRCDBWEWVTVZHAG-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.79
Rot. Bonds7

About methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883266) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20883266
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Namemethyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCCN(CCC)C(=O)Cn1c(C(=O)OC)cc2sc(Cl)cc21
InChIInChI=1S/C16H21ClN2O3S/c1-4-6-18(7-5-2)15(20)10-19-11-9-14(17)23-13(11)8-12(19)16(21)22-3/h8-9H,4-7,10H2,1-3H3
InChIKeyRCDBWEWVTVZHAG-UHFFFAOYSA-N
XLogP3.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
CID 53298204
N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 122175862
methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
CID 20883280
methyl 4-[(2-chlorophenyl)methyl]-2-ethylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883381
methyl 2-ethyl-4-[2-(2-methoxyanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883357
2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 20877200
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877191
ethyl 2-methyl-4-phenacylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438939
methyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883323
2-chloro-N-(2,3-dimethylphenyl)-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 20877188
methyl 2-methyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20885701

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 20883266) is methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCCN(CCC)C(=O)Cn1c(C(=O)OC)cc2sc(Cl)cc21.
What is the InChIKey of methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RCDBWEWVTVZHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-4-6-18(7-5-2)15(20)10-19-11-9-14(17)23-13(11)8-12(19)16(21)22-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 356.88 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).