1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

C13H19ClN2O4S2 — CID 24663293

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2O4S2/c1-20-9-3-7-15-13(17)10-4-2-8-16(10)22(18,19)12-6-5-11(14)21-12/h5-6,10H,2-4,7-9H2,1H3,(H,15,17)
InChIKeyTURJQLCAKYNNJB-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.71
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 24663293) has the molecular formula C13H19ClN2O4S2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
PubChem CID24663293
Molecular FormulaC13H19ClN2O4S2
Molecular Weight366.89 g/mol
Exact Mass366.05
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2O4S2/c1-20-9-3-7-15-13(17)10-4-2-8-16(10)22(18,19)12-6-5-11(14)21-12/h5-6,10H,2-4,7-9H2,1H3,(H,15,17)
InChIKeyTURJQLCAKYNNJB-UHFFFAOYSA-N
XLogP1.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide 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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24663628
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 118467207
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]pyrrolidine-2-carboxamide
CID 25498905
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
1-(5-chlorothiophen-2-yl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 24672059
1-(5-chlorothiophen-2-yl)sulfonyl-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 42937620
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 24627371
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 24668788

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide (CID 24663293) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide is COCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is TURJQLCAKYNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S2/c1-20-9-3-7-15-13(17)10-4-2-8-16(10)22(18,19)12-6-5-11(14)21-12/h5-6,10H,2-4,7-9H2,1H3,(H,15,17).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24663293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).