(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C18H18N2O2S — CID 92708984

IUPAC(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESCOc1ccccc1NC(=O)C[C@H](c1cccs1)n1cccc1
InChIInChI=1S/C18H18N2O2S/c1-22-16-8-3-2-7-14(16)19-18(21)13-15(17-9-6-12-23-17)20-10-4-5-11-20/h2-12,15H,13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyJLUKGDZJHBBFTG-OAHLLOKOSA-N
MW326.42 g/mol
LogP4.18
Rot. Bonds6

About (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 92708984) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID92708984
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESCOc1ccccc1NC(=O)C[C@H](c1cccs1)n1cccc1
InChIInChI=1S/C18H18N2O2S/c1-22-16-8-3-2-7-14(16)19-18(21)13-15(17-9-6-12-23-17)20-10-4-5-11-20/h2-12,15H,13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyJLUKGDZJHBBFTG-OAHLLOKOSA-N
XLogP4.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide
CID 51303270
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709743
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708926
N-(2-methoxy-3-pyridinyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 110204604
2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115284233
N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342493

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 92708984) is (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is COc1ccccc1NC(=O)C[C@H](c1cccs1)n1cccc1.
What is the InChIKey of (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is JLUKGDZJHBBFTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-22-16-8-3-2-7-14(16)19-18(21)13-15(17-9-6-12-23-17)20-10-4-5-11-20/h2-12,15H,13H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 92708984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).