N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide

C14H21ClN2O3S — CID 113052721

IUPACN-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-11(2)17(12(3)18)10-9-16-21(19,20)14-7-5-13(15)6-8-14/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyDOOGBMTWXFBPJV-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.27
Rot. Bonds7

About N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide

N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113052721) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
PubChem CID113052721
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-11(2)17(12(3)18)10-9-16-21(19,20)14-7-5-13(15)6-8-14/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyDOOGBMTWXFBPJV-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052766
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(2-ethylphenyl)acetamide
CID 113058359
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 56536513
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055790
N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide (CID 113052721) is N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide is CCC(C)N(CCNS(=O)(=O)c1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is DOOGBMTWXFBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-11(2)17(12(3)18)10-9-16-21(19,20)14-7-5-13(15)6-8-14/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide?
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113052721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).