N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

C14H20Cl2N2O3S — CID 92517954

IUPACN-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-4-10(3)17-14(19)9-18(5-2)22(20,21)13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyZEXUAYNABMUYEV-JTQLQIEISA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide

N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 92517954) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID92517954
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-4-10(3)17-14(19)9-18(5-2)22(20,21)13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyZEXUAYNABMUYEV-JTQLQIEISA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
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
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469
N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781337
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126012789
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371979
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
methyl 2-[[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45371987

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (CID 92517954) is N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is CC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is ZEXUAYNABMUYEV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-4-10(3)17-14(19)9-18(5-2)22(20,21)13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 92517954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).