N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

C14H20Cl2N2O3S — CID 2506680

IUPACN-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-5-18(9-13(19)17-14(2,3)4)22(20,21)12-8-10(15)6-7-11(12)16/h6-8H,5,9H2,1-4H3,(H,17,19)
InChIKeySSPLNVOOJDZSAR-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds5

About N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 2506680) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID2506680
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-5-18(9-13(19)17-14(2,3)4)22(20,21)12-8-10(15)6-7-11(12)16/h6-8H,5,9H2,1-4H3,(H,17,19)
InChIKeySSPLNVOOJDZSAR-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 7937672
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371979
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547797
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547799
methyl 2-[[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45371987
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372185
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371959

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (CID 2506680) is N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is SSPLNVOOJDZSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-5-18(9-13(19)17-14(2,3)4)22(20,21)12-8-10(15)6-7-11(12)16/h6-8H,5,9H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 2506680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).