2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide

C15H22N2O3S — CID 107769444

IUPAC2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide
SMILESCCC(C)Oc1cccc(NC(=O)C(CS)NC(C)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-4-10(2)20-13-7-5-6-12(8-13)17-15(19)14(9-21)16-11(3)18/h5-8,10,14,21H,4,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyIZRVHSBNVDSPMJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.24
Rot. Bonds7

About 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide

2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide (PubChem CID 107769444) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide
PubChem CID107769444
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide
SMILESCCC(C)Oc1cccc(NC(=O)C(CS)NC(C)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-4-10(2)20-13-7-5-6-12(8-13)17-15(19)14(9-21)16-11(3)18/h5-8,10,14,21H,4,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyIZRVHSBNVDSPMJ-UHFFFAOYSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide (CID 107769444) is 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide is CCC(C)Oc1cccc(NC(=O)C(CS)NC(C)=O)c1.
What is the InChIKey of 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide?
The InChIKey is IZRVHSBNVDSPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-10(2)20-13-7-5-6-12(8-13)17-15(19)14(9-21)16-11(3)18/h5-8,10,14,21H,4,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide?
2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).