2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22N2O4S — CID 1144627

IUPAC2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-15-5-4-6-17(13-15)25-14-19(22)20-16-7-9-18(10-8-16)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyZDDRTFNTNAPYCT-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.80
Rot. Bonds6

About 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1144627) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1144627
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-15-5-4-6-17(13-15)25-14-19(22)20-16-7-9-18(10-8-16)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyZDDRTFNTNAPYCT-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
2,6-dimethyl-4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811245
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2174334

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1144627) is 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZDDRTFNTNAPYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-5-4-6-17(13-15)25-14-19(22)20-16-7-9-18(10-8-16)26(23,24)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1144627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).