3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

C19H20N2OS — CID 45106963

IUPAC3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(C(CC(=O)NCc2cccs2)n2cccc2)c1
InChIInChI=1S/C19H20N2OS/c1-15-6-4-7-16(12-15)18(21-9-2-3-10-21)13-19(22)20-14-17-8-5-11-23-17/h2-12,18H,13-14H2,1H3,(H,20,22)
InChIKeyOEJYBSFBZJJSKO-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.15
Rot. Bonds6

About 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 45106963) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID45106963
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(C(CC(=O)NCc2cccs2)n2cccc2)c1
InChIInChI=1S/C19H20N2OS/c1-15-6-4-7-16(12-15)18(21-9-2-3-10-21)13-19(22)20-14-17-8-5-11-23-17/h2-12,18H,13-14H2,1H3,(H,20,22)
InChIKeyOEJYBSFBZJJSKO-UHFFFAOYSA-N
XLogP4.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710145
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92710137
2-methyl-1-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258202
2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110440374

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide (CID 45106963) is 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide is Cc1cccc(C(CC(=O)NCc2cccs2)n2cccc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OEJYBSFBZJJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15-6-4-7-16(12-15)18(21-9-2-3-10-21)13-19(22)20-14-17-8-5-11-23-17/h2-12,18H,13-14H2,1H3,(H,20,22).
What are the key properties of 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 45106963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).