N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide

C11H16N2O5S2 — CID 110759438

IUPACN-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O5S2/c1-9(14)12-7-8-13-20(17,18)11-5-3-10(4-6-11)19(2,15)16/h3-6,13H,7-8H2,1-2H3,(H,12,14)
InChIKeyLKYQTCLRKUNPSF-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.50
Rot. Bonds6

About N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 110759438) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID110759438
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC NameN-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16N2O5S2/c1-9(14)12-7-8-13-20(17,18)11-5-3-10(4-6-11)19(2,15)16/h3-6,13H,7-8H2,1-2H3,(H,12,14)
InChIKeyLKYQTCLRKUNPSF-UHFFFAOYSA-N
XLogP-0.50
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
CID 47173310
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide (CID 110759438) is N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is LKYQTCLRKUNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-9(14)12-7-8-13-20(17,18)11-5-3-10(4-6-11)19(2,15)16/h3-6,13H,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 110759438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).