3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C20H26N2O4S — CID 113141978

IUPAC3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccccc2OC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-8-6-5-7-18(19)21-20(23)13-14-22(27(4,24)25)17-11-9-16(3)10-12-17/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyXCSCVSNOCZDQEQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.58
Rot. Bonds8

About 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113141978) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113141978
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccccc2OC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)26-19-8-6-5-7-18(19)21-20(23)13-14-22(27(4,24)25)17-11-9-16(3)10-12-17/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyXCSCVSNOCZDQEQ-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113141895
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143094
N-(5-methyl-1,2-oxazol-3-yl)-3-(N-methylsulfonyl-2-propan-2-yloxyanilino)propanamide
CID 113145043
2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280099

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 113141978) is 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is Cc1ccc(N(CCC(=O)Nc2ccccc2OC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is XCSCVSNOCZDQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)26-19-8-6-5-7-18(19)21-20(23)13-14-22(27(4,24)25)17-11-9-16(3)10-12-17/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113141978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).