N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

C21H26N2O3S — CID 86840341

IUPACN-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCN2C(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-3-11-26-16-8-9-18(15(2)13-16)22-21(25)19-7-4-10-23(19)20(24)14-17-6-5-12-27-17/h5-6,8-9,12-13,19H,3-4,7,10-11,14H2,1-2H3,(H,22,25)
InChIKeySQNBKTLYBMHRRH-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.02
Rot. Bonds7

About N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 86840341) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID86840341
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCN2C(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-3-11-26-16-8-9-18(15(2)13-16)22-21(25)19-7-4-10-23(19)20(24)14-17-6-5-12-27-17/h5-6,8-9,12-13,19H,3-4,7,10-11,14H2,1-2H3,(H,22,25)
InChIKeySQNBKTLYBMHRRH-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-methyl-4-[(1-propanoylpiperidine-2-carbonyl)amino]phenoxy]acetate
CID 55915477
(2S)-1-propanoyl-N-[4-[(E)-2-[4-[[(2S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768918
1-(2-thiophen-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 86831977
(2S)-N-[4-[2-[4-[[(2S)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 91612768
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 124721737
(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 58768723
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136532625
N-(4-nitrophenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839958
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120882285
N-(1-adamantyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86839728
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
CID 110492997

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide (CID 86840341) is N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide is CCCOc1ccc(NC(=O)C2CCCN2C(=O)Cc2cccs2)c(C)c1.
What is the InChIKey of N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is SQNBKTLYBMHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-11-26-16-8-9-18(15(2)13-16)22-21(25)19-7-4-10-23(19)20(24)14-17-6-5-12-27-17/h5-6,8-9,12-13,19H,3-4,7,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86840341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).