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

C14H20Cl2N2O3S — CID 4233254

IUPACN-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCCCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-5-8-17-14(19)10-18(4-2)22(20,21)13-9-11(15)6-7-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyGDMSHQJQGHNEMS-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds8

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

N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 4233254) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID4233254
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCCCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-5-8-17-14(19)10-18(4-2)22(20,21)13-9-11(15)6-7-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyGDMSHQJQGHNEMS-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371959
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469
N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
CID 18289830
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371979
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
methyl 2-[[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45371987
N-(2-bromoethyl)-N-butyl-2,5-dichlorobenzenesulfonamide
CID 80669261
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372185

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide (CID 4233254) is N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is CCCCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is GDMSHQJQGHNEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-3-5-8-17-14(19)10-18(4-2)22(20,21)13-9-11(15)6-7-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide?
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 4233254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).