2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide

C14H18N2O2S — CID 79518987

IUPAC2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Sc1cc(OCC)ccc1N
InChIInChI=1S/C14H18N2O2S/c1-4-8-16-14(17)10(3)19-13-9-11(18-5-2)6-7-12(13)15/h1,6-7,9-10H,5,8,15H2,2-3H3,(H,16,17)
InChIKeyHCWIPNMBTLXIBG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.90
Rot. Bonds6

About 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide

2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide (PubChem CID 79518987) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide
PubChem CID79518987
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Sc1cc(OCC)ccc1N
InChIInChI=1S/C14H18N2O2S/c1-4-8-16-14(17)10(3)19-13-9-11(18-5-2)6-7-12(13)15/h1,6-7,9-10H,5,8,15H2,2-3H3,(H,16,17)
InChIKeyHCWIPNMBTLXIBG-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(4-amino-2-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43305444
4-(2-amino-5-ethoxyphenyl)sulfanylpentanehydrazide
CID 79512196
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43304841
2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
CID 43114050
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
CID 79518105
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 79518904
5-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylfuran-2-carboxylic acid
CID 63943351

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide (CID 79518987) is 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Sc1cc(OCC)ccc1N.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide?
The InChIKey is HCWIPNMBTLXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-8-16-14(17)10(3)19-13-9-11(18-5-2)6-7-12(13)15/h1,6-7,9-10H,5,8,15H2,2-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide?
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxyphenyl)sulfanyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 79518987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).