1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H18ClN3O2S — CID 3230285

IUPAC1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2S/c18-13-6-1-2-7-14(13)20-17(23)21-9-3-8-15(21)16(22)19-11-12-5-4-10-24-12/h1-2,4-7,10,15H,3,8-9,11H2,(H,19,22)(H,20,23)
InChIKeyNBDSYXUGDWIRCW-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.71
Rot. Bonds4

About 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230285) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230285
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2S/c18-13-6-1-2-7-14(13)20-17(23)21-9-3-8-15(21)16(22)19-11-12-5-4-10-24-12/h1-2,4-7,10,15H,3,8-9,11H2,(H,19,22)(H,20,23)
InChIKeyNBDSYXUGDWIRCW-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 4882299
1-(4-Chlorophenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2882225
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4852470
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-phenyl-N-(2-thienylmethyl)urea
CID 2958227
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
1-(2-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiourea
CID 3639893
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 2472556
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-p-tolylamide
CID 3219699
1-N-(3-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219804
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 25695340

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230285) is 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is NBDSYXUGDWIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-13-6-1-2-7-14(13)20-17(23)21-9-3-8-15(21)16(22)19-11-12-5-4-10-24-12/h1-2,4-7,10,15H,3,8-9,11H2,(H,19,22)(H,20,23).
What are the key properties of 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chlorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).