2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide

C15H18N2O3S — CID 81193044

IUPAC2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
SMILESCc1c(N)cccc1S(=O)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O3S/c1-10-13(16)6-3-7-14(10)21(19)11(2)15(18)17-9-12-5-4-8-20-12/h3-8,11H,9,16H2,1-2H3,(H,17,18)
InChIKeyACPBGFMIQYJQPJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.98
Rot. Bonds5

About 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide

2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 81193044) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
PubChem CID81193044
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
SMILESCc1c(N)cccc1S(=O)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O3S/c1-10-13(16)6-3-7-14(10)21(19)11(2)15(18)17-9-12-5-4-8-20-12/h3-8,11H,9,16H2,1-2H3,(H,17,18)
InChIKeyACPBGFMIQYJQPJ-UHFFFAOYSA-N
XLogP1.98
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(3-amino-2-methylpropyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
CID 81201837
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
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2-bromo-N-(furan-2-ylmethyl)butanamide
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2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
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(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
CID 42426854
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
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N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-methylbenzamide
CID 97329400

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide (CID 81193044) is 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide is Cc1c(N)cccc1S(=O)C(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is ACPBGFMIQYJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-13(16)6-3-7-14(10)21(19)11(2)15(18)17-9-12-5-4-8-20-12/h3-8,11H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide?
2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 81193044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).