2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide

C16H25N3O4S — CID 164663289

IUPAC2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(CCN)C2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C16H25N3O4S/c1-2-12-4-3-5-13(8-12)18-16(21)9-19(7-6-17)14-10-24(22,23)11-15(14)20/h3-5,8,14-15,20H,2,6-7,9-11,17H2,1H3,(H,18,21)
InChIKeyBSHCJLWQUIIJQD-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.39
Rot. Bonds7

About 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide

2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide (PubChem CID 164663289) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide
PubChem CID164663289
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(CCN)C2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C16H25N3O4S/c1-2-12-4-3-5-13(8-12)18-16(21)9-19(7-6-17)14-10-24(22,23)11-15(14)20/h3-5,8,14-15,20H,2,6-7,9-11,17H2,1H3,(H,18,21)
InChIKeyBSHCJLWQUIIJQD-UHFFFAOYSA-N
XLogP-0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide
CID 164663251
2-[(1,1-dioxothiolan-3-yl)-[(1,1-dioxothiolan-3-yl)amino]amino]-N-(3-ethylphenyl)acetamide
CID 164663297
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide (CID 164663289) is 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN(CCN)C2CS(=O)(=O)CC2O)c1.
What is the InChIKey of 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is BSHCJLWQUIIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-2-12-4-3-5-13(8-12)18-16(21)9-19(7-6-17)14-10-24(22,23)11-15(14)20/h3-5,8,14-15,20H,2,6-7,9-11,17H2,1H3,(H,18,21).
What are the key properties of 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide?
2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 164663289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).