N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide

C18H21N3O3S — CID 31812779

IUPACN-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1
InChIInChI=1S/C18H21N3O3S/c1-13-5-6-16(20-14(2)22)12-18(13)25(23,24)21-11-3-4-17(21)15-7-9-19-10-8-15/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyRNEJNDKFUXCQKY-QGZVFWFLSA-N
MW359.45 g/mol
LogP2.87
Rot. Bonds4

About N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 31812779) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID31812779
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1
InChIInChI=1S/C18H21N3O3S/c1-13-5-6-16(20-14(2)22)12-18(13)25(23,24)21-11-3-4-17(21)15-7-9-19-10-8-15/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyRNEJNDKFUXCQKY-QGZVFWFLSA-N
XLogP2.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
CID 60777997
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
N-[4-methyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 39795157
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
(2S,3S)-1-(5-acetamido-2-methoxyphenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105411
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 31812779) is N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1.
What is the InChIKey of N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RNEJNDKFUXCQKY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-5-6-16(20-14(2)22)12-18(13)25(23,24)21-11-3-4-17(21)15-7-9-19-10-8-15/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 31812779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).