N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide

C14H21ClN2O3S — CID 4301159

IUPACN-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCC(C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-4-11(3)16-14(18)10-17(5-2)21(19,20)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyYTBGRINYZKBLQQ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.27
Rot. Bonds7

About N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide

N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 4301159) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID4301159
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCC(C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-4-11(3)16-14(18)10-17(5-2)21(19,20)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyYTBGRINYZKBLQQ-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-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2292687
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126012789
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044817
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 42912907

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide (CID 4301159) is N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide is CCC(C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is YTBGRINYZKBLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-11(3)16-14(18)10-17(5-2)21(19,20)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]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-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 4301159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).