2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide

C14H21ClN2O3S — CID 112995859

IUPAC2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3S/c1-2-3-9-21(19,20)17-11-14(18)16-8-7-12-5-4-6-13(15)10-12/h4-6,10,17H,2-3,7-9,11H2,1H3,(H,16,18)
InChIKeyZKQDUMSIDGDULA-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.72
Rot. Bonds9

About 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide

2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 112995859) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID112995859
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3S/c1-2-3-9-21(19,20)17-11-14(18)16-8-7-12-5-4-6-13(15)10-12/h4-6,10,17H,2-3,7-9,11H2,1H3,(H,16,18)
InChIKeyZKQDUMSIDGDULA-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
N-[2-(3-chlorophenyl)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112995868
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
2-(butylsulfonylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 112992191
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N-(3-chlorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112997895
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 112995859) is 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide is CCCCS(=O)(=O)NCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is ZKQDUMSIDGDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-2-3-9-21(19,20)17-11-14(18)16-8-7-12-5-4-6-13(15)10-12/h4-6,10,17H,2-3,7-9,11H2,1H3,(H,16,18).
What are the key properties of 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 332.85 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 112995859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).