(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C19H20N2O3S — CID 92708850

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c(OC)c1
InChIInChI=1S/C19H20N2O3S/c1-23-14-7-8-15(17(12-14)24-2)20-19(22)13-16(18-6-5-11-25-18)21-9-3-4-10-21/h3-12,16H,13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyIKVXFBBELVMGHI-MRXNPFEDSA-N
MW356.45 g/mol
LogP4.18
Rot. Bonds7

About (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 92708850) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID92708850
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c(OC)c1
InChIInChI=1S/C19H20N2O3S/c1-23-14-7-8-15(17(12-14)24-2)20-19(22)13-16(18-6-5-11-25-18)21-9-3-4-10-21/h3-12,16H,13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyIKVXFBBELVMGHI-MRXNPFEDSA-N
XLogP4.18
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709504
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052002
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7406588
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529441
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 92708850) is (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is COc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c(OC)c1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is IKVXFBBELVMGHI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-14-7-8-15(17(12-14)24-2)20-19(22)13-16(18-6-5-11-25-18)21-9-3-4-10-21/h3-12,16H,13H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 356.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 92708850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).