2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide

C21H20N2OS2 — CID 155306382

IUPAC2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide
SMILESNC(=O)C(N)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS2/c22-19(20(23)24)21(16-10-4-1-5-11-16,25-17-12-6-2-7-13-17)26-18-14-8-3-9-15-18/h1-15,19H,22H2,(H2,23,24)
InChIKeyJHMSQSQIPIODSF-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.24
Rot. Bonds7

About 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide

2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide (PubChem CID 155306382) has the molecular formula C21H20N2OS2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide.

Molecular Properties

Compound Name2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide
PubChem CID155306382
Molecular FormulaC21H20N2OS2
Molecular Weight380.54 g/mol
Exact Mass380.10
IUPAC Name2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide
SMILESNC(=O)C(N)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS2/c22-19(20(23)24)21(16-10-4-1-5-11-16,25-17-12-6-2-7-13-17)26-18-14-8-3-9-15-18/h1-15,19H,22H2,(H2,23,24)
InChIKeyJHMSQSQIPIODSF-UHFFFAOYSA-N
XLogP4.24
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 59940318
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
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CID 151851017
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
4-amino-3-bromo-3-phenylpentan-2-one
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CID 161199097
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
2-(1,1-diphenylethyl)propanediamide
CID 175584560
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide?
The IUPAC name of 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide (CID 155306382) is 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide.
What is the SMILES notation for 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide?
The canonical SMILES for 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide is NC(=O)C(N)C(Sc1ccccc1)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide?
The InChIKey is JHMSQSQIPIODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS2/c22-19(20(23)24)21(16-10-4-1-5-11-16,25-17-12-6-2-7-13-17)26-18-14-8-3-9-15-18/h1-15,19H,22H2,(H2,23,24).
What are the key properties of 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide?
2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide has a molecular weight of 380.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide is sourced from PubChem (CID 155306382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).