methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate

C17H15Cl2NO3S — CID 55923793

IUPACmethyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C17H15Cl2NO3S/c1-23-17(22)15-7-6-14(24-15)16(21)20-8-2-3-13(20)10-4-5-11(18)12(19)9-10/h4-7,9,13H,2-3,8H2,1H3
InChIKeyFGRKSJNEQNLMCW-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.82
Rot. Bonds3

About methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate

methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate (PubChem CID 55923793) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate
PubChem CID55923793
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Namemethyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C17H15Cl2NO3S/c1-23-17(22)15-7-6-14(24-15)16(21)20-8-2-3-13(20)10-4-5-11(18)12(19)9-10/h4-7,9,13H,2-3,8H2,1H3
InChIKeyFGRKSJNEQNLMCW-UHFFFAOYSA-N
XLogP4.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-(ethylamino)propan-1-one
CID 62834949
4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
CID 60963537
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721721
4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674061
1-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]ethanone
CID 41102801
(E)-4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 60948473

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate (CID 55923793) is methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate?
The InChIKey is FGRKSJNEQNLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c1-23-17(22)15-7-6-14(24-15)16(21)20-8-2-3-13(20)10-4-5-11(18)12(19)9-10/h4-7,9,13H,2-3,8H2,1H3.
What are the key properties of methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate?
methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate has a molecular weight of 384.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylate is sourced from PubChem (CID 55923793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).