2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide

C19H24N2OS — CID 21427586

IUPAC2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide
SMILESCCCCc1ccc(Sc2cccc(NC(=O)C(C)N)c2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-4-6-15-9-11-17(12-10-15)23-18-8-5-7-16(13-18)21-19(22)14(2)20/h5,7-14H,3-4,6,20H2,1-2H3,(H,21,22)
InChIKeyJUIYTKBQPKZGEC-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.47
Rot. Bonds7

About 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide

2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide (PubChem CID 21427586) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide
PubChem CID21427586
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide
SMILESCCCCc1ccc(Sc2cccc(NC(=O)C(C)N)c2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-4-6-15-9-11-17(12-10-15)23-18-8-5-7-16(13-18)21-19(22)14(2)20/h5,7-14H,3-4,6,20H2,1-2H3,(H,21,22)
InChIKeyJUIYTKBQPKZGEC-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide?
The IUPAC name of 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide (CID 21427586) is 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide is CCCCc1ccc(Sc2cccc(NC(=O)C(C)N)c2)cc1.
What is the InChIKey of 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide?
The InChIKey is JUIYTKBQPKZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-4-6-15-9-11-17(12-10-15)23-18-8-5-7-16(13-18)21-19(22)14(2)20/h5,7-14H,3-4,6,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide?
2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide has a molecular weight of 328.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-butylphenyl)sulfanylphenyl]propanamide is sourced from PubChem (CID 21427586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).