2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid

C15H20N2O5S — CID 82033021

IUPAC2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
SMILESCOc1ccccc1NC(=O)CSCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O5S/c1-15(2,14(20)21)17-13(19)9-23-8-12(18)16-10-6-4-5-7-11(10)22-3/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyYCQHBZFAJIEOKP-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.35
Rot. Bonds8

About 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid

2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid (PubChem CID 82033021) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
PubChem CID82033021
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid
SMILESCOc1ccccc1NC(=O)CSCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O5S/c1-15(2,14(20)21)17-13(19)9-23-8-12(18)16-10-6-4-5-7-11(10)22-3/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyYCQHBZFAJIEOKP-UHFFFAOYSA-N
XLogP1.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
2-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-2-methylpropanoic acid
CID 81228987
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 66223813
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid (CID 82033021) is 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid is COc1ccccc1NC(=O)CSCC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid?
The InChIKey is YCQHBZFAJIEOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(2,14(20)21)17-13(19)9-23-8-12(18)16-10-6-4-5-7-11(10)22-3/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid?
2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82033021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).