N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

C20H26N2O4S — CID 113155378

IUPACN-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCCc1ccc(NC(=O)CN(c2ccccc2OC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16-10-12-17(13-11-16)21-20(23)14-22(27(4,24)25)18-8-6-7-9-19(18)26-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23)
InChIKeyRPEWBJPFKQVVRW-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.44
Rot. Bonds8

About N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide

N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (PubChem CID 113155378) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
PubChem CID113155378
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
SMILESCCc1ccc(NC(=O)CN(c2ccccc2OC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16-10-12-17(13-11-16)21-20(23)14-22(27(4,24)25)18-8-6-7-9-19(18)26-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23)
InChIKeyRPEWBJPFKQVVRW-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
N-(5-methyl-1,2-oxazol-3-yl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155395
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(1-phenylethyl)acetamide
CID 113155347
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2290689
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
CID 113070721
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide (CID 113155378) is N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is CCc1ccc(NC(=O)CN(c2ccccc2OC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
The InChIKey is RPEWBJPFKQVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-16-10-12-17(13-11-16)21-20(23)14-22(27(4,24)25)18-8-6-7-9-19(18)26-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide?
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 113155378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).