1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C18H21N3O3S — CID 3219663

IUPAC1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c1-24-14-8-6-13(7-9-14)20-18(23)21-10-2-5-16(21)17(22)19-12-15-4-3-11-25-15/h3-4,6-9,11,16H,2,5,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyZWCSPPCKWQQDNY-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.07
Rot. Bonds5

About 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219663) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219663
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c1-24-14-8-6-13(7-9-14)20-18(23)21-10-2-5-16(21)17(22)19-12-15-4-3-11-25-15/h3-4,6-9,11,16H,2,5,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyZWCSPPCKWQQDNY-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598535
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide
CID 3216690
Flaviviruses-IN-2
CID 3378615
((2S,4S)-4-(4-methoxyphenylamino)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44422440
((2S,4S)-4-(4-(4-methoxyphenyl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439331
Methyl [3-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2187911
2-{1-(4-methoxyphenyl)-5-oxo-3-[2-(thiophen-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-phenylacetamide
CID 2962752

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3219663) is 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is ZWCSPPCKWQQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-14-8-6-13(7-9-14)20-18(23)21-10-2-5-16(21)17(22)19-12-15-4-3-11-25-15/h3-4,6-9,11,16H,2,5,10,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).