3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid

C14H19ClN2O5S — CID 119249274

IUPAC3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(CC(=O)NCC(C)(C)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S/c1-14(2,13(19)20)9-16-12(18)8-17(3)23(21,22)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJOUIIWHFLXHVQW-UHFFFAOYSA-N
MW362.84 g/mol
LogP1.19
Rot. Bonds7

About 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249274) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249274
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(CC(=O)NCC(C)(C)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S/c1-14(2,13(19)20)9-16-12(18)8-17(3)23(21,22)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJOUIIWHFLXHVQW-UHFFFAOYSA-N
XLogP1.19
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100796959
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 2173859
4-chloro-N-(3,3-dimethyl-2-oxobutyl)-N-methylbenzenesulfonamide
CID 171725644
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797738
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid (CID 119249274) is 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid is CN(CC(=O)NCC(C)(C)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is JOUIIWHFLXHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-14(2,13(19)20)9-16-12(18)8-17(3)23(21,22)11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 362.84 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).