2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H25N3O4S — CID 94140245

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O4S/c1-22(28(2,25)26)17-9-11-19(12-10-17)27-15-20(24)21-16-5-7-18(8-6-16)23-13-3-4-14-23/h5-12H,3-4,13-15H2,1-2H3,(H,21,24)
InChIKeyBIPTZHJOFQHWDD-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.70
Rot. Bonds7

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 94140245) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID94140245
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O4S/c1-22(28(2,25)26)17-9-11-19(12-10-17)27-15-20(24)21-16-5-7-18(8-6-16)23-13-3-4-14-23/h5-12H,3-4,13-15H2,1-2H3,(H,21,24)
InChIKeyBIPTZHJOFQHWDD-UHFFFAOYSA-N
XLogP2.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 125054329
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N-[4-(azepan-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7582308
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
CID 38107357
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3526342
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 94140245) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CN(c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BIPTZHJOFQHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22(28(2,25)26)17-9-11-19(12-10-17)27-15-20(24)21-16-5-7-18(8-6-16)23-13-3-4-14-23/h5-12H,3-4,13-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 94140245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).