2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C22H30N2O4S — CID 30219413

IUPAC2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1cccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O4S/c1-16(2)19-9-11-20(12-10-19)24(29(5,26)27)15-22(25)23-14-18-7-6-8-21(13-18)28-17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,23,25)
InChIKeyCYJAKLLPZIDUBK-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.68
Rot. Bonds9

About 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30219413) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID30219413
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1cccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O4S/c1-16(2)19-9-11-20(12-10-19)24(29(5,26)27)15-22(25)23-14-18-7-6-8-21(13-18)28-17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,23,25)
InChIKeyCYJAKLLPZIDUBK-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30245383
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30222547
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30253885
2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 46770314
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30228554
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280775
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30212679
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 30219413) is 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1cccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is CYJAKLLPZIDUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16(2)19-9-11-20(12-10-19)24(29(5,26)27)15-22(25)23-14-18-7-6-8-21(13-18)28-17(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,23,25).
What are the key properties of 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30219413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).