N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C19H22N2O4S — CID 51531011

IUPACN-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-14(22)20-16-8-10-18(11-9-16)26(23,24)21-12-4-7-19(21)15-5-3-6-17(13-15)25-2/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyFJATYWIODAFITD-LJQANCHMSA-N
MW374.46 g/mol
LogP3.18
Rot. Bonds5

About N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 51531011) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID51531011
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-14(22)20-16-8-10-18(11-9-16)26(23,24)21-12-4-7-19(21)15-5-3-6-17(13-15)25-2/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyFJATYWIODAFITD-LJQANCHMSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 94579683
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 3622156
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
dimethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,4-dicarboxylate
CID 55508527
N-[4-[(2S)-2-[(1S)-1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 98794903
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 51531011) is N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is FJATYWIODAFITD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(22)20-16-8-10-18(11-9-16)26(23,24)21-12-4-7-19(21)15-5-3-6-17(13-15)25-2/h3,5-6,8-11,13,19H,4,7,12H2,1-2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 51531011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).