N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide

C20H25N2O3S+ — CID 7195031

IUPACN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)C[NH+]2CCCC2)s1
InChIInChI=1S/C20H24N2O3S/c1-3-16-12-17(19(24)14-6-8-15(25-2)9-7-14)20(26-16)21-18(23)13-22-10-4-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,21,23)/p+1
InChIKeyRQPQUPSPHCUYTK-UHFFFAOYSA-O
MW373.50 g/mol
LogP2.17
Rot. Bonds7

About N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 7195031) has the molecular formula C20H25N2O3S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID7195031
Molecular FormulaC20H25N2O3S+
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)C[NH+]2CCCC2)s1
InChIInChI=1S/C20H24N2O3S/c1-3-16-12-17(19(24)14-6-8-15(25-2)9-7-14)20(26-16)21-18(23)13-22-10-4-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,21,23)/p+1
InChIKeyRQPQUPSPHCUYTK-UHFFFAOYSA-O
XLogP2.17
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide
CID 2814367
2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 59233518
ethyl 5-ethyl-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 46562031
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide
CID 4207497
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
(2S)-2-[[2-[[5-ethyl-3-[4-(trifluoromethoxy)benzoyl]thiophen-2-yl]amino]-2-oxoethyl]amino]butanoic acid
CID 59233467
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
5-[[3-(4-chlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;ethane
CID 143691538
methyl 5-ethyl-2-[(4-methoxy-2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate
CID 19678176
ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7763780

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide (CID 7195031) is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)C[NH+]2CCCC2)s1.
What is the InChIKey of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is RQPQUPSPHCUYTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O3S/c1-3-16-12-17(19(24)14-6-8-15(25-2)9-7-14)20(26-16)21-18(23)13-22-10-4-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,21,23)/p+1.
What are the key properties of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide?
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 373.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 7195031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).