N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide

C15H24N2O3S — CID 113154163

IUPACN,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-13-8-10-14(11-9-13)17(21(4,19)20)12-15(18)16(6-2)7-3/h8-11H,5-7,12H2,1-4H3
InChIKeyJMWLOWCMJOHJCC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.88
Rot. Bonds7

About N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide

N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154163) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154163
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-13-8-10-14(11-9-13)17(21(4,19)20)12-15(18)16(6-2)7-3/h8-11H,5-7,12H2,1-4H3
InChIKeyJMWLOWCMJOHJCC-UHFFFAOYSA-N
XLogP1.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
CID 113156320
2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034252
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
CID 113157686
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 113154163) is N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)N(CC)CC)S(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is JMWLOWCMJOHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-13-8-10-14(11-9-13)17(21(4,19)20)12-15(18)16(6-2)7-3/h8-11H,5-7,12H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).