(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone

C22H21NO2S — CID 46082814

IUPAC(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C22H21NO2S/c1-16-6-5-15-23(16)22(24)21-14-13-20(26-21)17-9-11-19(12-10-17)25-18-7-3-2-4-8-18/h2-4,7-14,16H,5-6,15H2,1H3
InChIKeyGVLRQZHFSWQWFN-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.83
Rot. Bonds4

About (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone

(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone (PubChem CID 46082814) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone
PubChem CID46082814
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C22H21NO2S/c1-16-6-5-15-23(16)22(24)21-14-13-20(26-21)17-9-11-19(12-10-17)25-18-7-3-2-4-8-18/h2-4,7-14,16H,5-6,15H2,1H3
InChIKeyGVLRQZHFSWQWFN-UHFFFAOYSA-N
XLogP5.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-[4-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]phenyl]methanone
CID 68548055
5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide
CID 46082678
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119468773
2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
CID 91232807
N-methyl-5-(4-phenoxyphenyl)-N-prop-2-ynylthiophene-2-carboxamide
CID 46082910
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone (CID 46082814) is (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone is CC1CCCN1C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone?
The InChIKey is GVLRQZHFSWQWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-6-5-15-23(16)22(24)21-14-13-20(26-21)17-9-11-19(12-10-17)25-18-7-3-2-4-8-18/h2-4,7-14,16H,5-6,15H2,1H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone?
(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone has a molecular weight of 363.48 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 46082814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).