N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide

C13H19N3O4S — CID 39162194

IUPACN-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)CC(=O)NCCN)c1
InChIInChI=1S/C13H19N3O4S/c1-10-3-2-4-11(7-10)16-13(18)9-21(19,20)8-12(17)15-6-5-14/h2-4,7H,5-6,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyFCOFNYOUCLREMB-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.58
Rot. Bonds7

About N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide

N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide (PubChem CID 39162194) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
PubChem CID39162194
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)CC(=O)NCCN)c1
InChIInChI=1S/C13H19N3O4S/c1-10-3-2-4-11(7-10)16-13(18)9-21(19,20)8-12(17)15-6-5-14/h2-4,7H,5-6,8-9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyFCOFNYOUCLREMB-UHFFFAOYSA-N
XLogP-0.58
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 82032405
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405
4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731412
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 28695722
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 23409030
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide (CID 39162194) is N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide is Cc1cccc(NC(=O)CS(=O)(=O)CC(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide?
The InChIKey is FCOFNYOUCLREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-3-2-4-11(7-10)16-13(18)9-21(19,20)8-12(17)15-6-5-14/h2-4,7H,5-6,8-9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide?
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide has a molecular weight of 313.38 g/mol, XLogP of -0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 39162194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).