2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide

C17H22N2O4S — CID 167806974

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NS(=O)(=O)c1cccn1C
InChIInChI=1S/C17H22N2O4S/c1-12(2)14-8-7-13(3)15(10-14)23-11-16(20)18-24(21,22)17-6-5-9-19(17)4/h5-10,12H,11H2,1-4H3,(H,18,20)
InChIKeyMTSAKHHQDLIXNC-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.34
Rot. Bonds6

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide

2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide (PubChem CID 167806974) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide
PubChem CID167806974
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NS(=O)(=O)c1cccn1C
InChIInChI=1S/C17H22N2O4S/c1-12(2)14-8-7-13(3)15(10-14)23-11-16(20)18-24(21,22)17-6-5-9-19(17)4/h5-10,12H,11H2,1-4H3,(H,18,20)
InChIKeyMTSAKHHQDLIXNC-UHFFFAOYSA-N
XLogP2.34
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55973351
N-(3-benzylsulfonylpropyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 55663482
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 55693733
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7918329
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919669

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide (CID 167806974) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide is Cc1ccc(C(C)C)cc1OCC(=O)NS(=O)(=O)c1cccn1C.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide?
The InChIKey is MTSAKHHQDLIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12(2)14-8-7-13(3)15(10-14)23-11-16(20)18-24(21,22)17-6-5-9-19(17)4/h5-10,12H,11H2,1-4H3,(H,18,20).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide has a molecular weight of 350.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide is sourced from PubChem (CID 167806974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).