2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate

C15H22N2O6S — CID 21455561

IUPAC2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O6S/c1-12(18)22-9-7-17(8-10-23-13(2)19)15-6-4-5-14(11-15)16-24(3,20)21/h4-6,11,16H,7-10H2,1-3H3
InChIKeyPJTCDGMWAPOUIU-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.99
Rot. Bonds9

About 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate

2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate (PubChem CID 21455561) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate.

Molecular Properties

Compound Name2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate
PubChem CID21455561
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O6S/c1-12(18)22-9-7-17(8-10-23-13(2)19)15-6-4-5-14(11-15)16-24(3,20)21/h4-6,11,16H,7-10H2,1-3H3
InChIKeyPJTCDGMWAPOUIU-UHFFFAOYSA-N
XLogP0.99
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-dimethylarsanylethyl(methyl)amino]phenyl]methanesulfonamide
CID 174776208
2-[N-(2-sulfooxyethyl)anilino]ethyl acetate
CID 88713533
2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate;methyl 3-(N-methylanilino)propanoate
CID 67571780
2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate
CID 70633501
2-(N-decylanilino)ethyl acetate
CID 70658915
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate?
The IUPAC name of 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate (CID 21455561) is 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate.
What is the SMILES notation for 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate?
The canonical SMILES for 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate?
The InChIKey is PJTCDGMWAPOUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-12(18)22-9-7-17(8-10-23-13(2)19)15-6-4-5-14(11-15)16-24(3,20)21/h4-6,11,16H,7-10H2,1-3H3.
What are the key properties of 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate?
2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate has a molecular weight of 358.42 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate is sourced from PubChem (CID 21455561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).