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

C19H22N2O4S — CID 9415053

IUPAC2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-15-6-4-8-17(12-15)25-14-19(22)20-16-7-5-9-18(13-16)26(23,24)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,20,22)
InChIKeyNKQXNIGCPVDCJT-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.80
Rot. Bonds6

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

2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9415053) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID9415053
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-15-6-4-8-17(12-15)25-14-19(22)20-16-7-5-9-18(13-16)26(23,24)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,20,22)
InChIKeyNKQXNIGCPVDCJT-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

ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
CID 30582105
methyl 2-[4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]acetate
CID 26054421
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 4635150
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4634964
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 46816110
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(3-methylphenoxy)acetamide
CID 4946376

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 9415053) is 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is NKQXNIGCPVDCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-6-4-8-17(12-15)25-14-19(22)20-16-7-5-9-18(13-16)26(23,24)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-methylphenoxy)-N-(3-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-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9415053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).