2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22N2O3S — CID 8614711

IUPAC2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N2O3S/c1-15-7-2-3-8-16(15)13-19(22)20-17-9-6-10-18(14-17)25(23,24)21-11-4-5-12-21/h2-3,6-10,14H,4-5,11-13H2,1H3,(H,20,22)
InChIKeyFHTJTTXIKGOZLF-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 8614711) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID8614711
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N2O3S/c1-15-7-2-3-8-16(15)13-19(22)20-17-9-6-10-18(14-17)25(23,24)21-11-4-5-12-21/h2-3,6-10,14H,4-5,11-13H2,1H3,(H,20,22)
InChIKeyFHTJTTXIKGOZLF-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenoxy)propanamide
CID 9449724
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9073638
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
(2-fluorophenyl)methyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 9035155
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 8614711) is 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FHTJTTXIKGOZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-7-2-3-8-16(15)13-19(22)20-17-9-6-10-18(14-17)25(23,24)21-11-4-5-12-21/h2-3,6-10,14H,4-5,11-13H2,1H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 8614711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).