N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide

C19H24N2O3S — CID 113068921

IUPACN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
SMILESCc1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-15-9-10-18(13-16(15)2)21(25(3,23)24)12-11-20-19(22)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyXZKSKMIIBCHVAN-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide (PubChem CID 113068921) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
PubChem CID113068921
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
SMILESCc1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-15-9-10-18(13-16(15)2)21(25(3,23)24)12-11-20-19(22)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyXZKSKMIIBCHVAN-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113070154
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide (CID 113068921) is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide is Cc1ccc(N(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
The InChIKey is XZKSKMIIBCHVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-10-18(13-16(15)2)21(25(3,23)24)12-11-20-19(22)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide?
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113068921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).