N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide

C16H16N2OS — CID 125464830

IUPACN-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
SMILESNC(=S)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c17-15(20)14(11-12-7-3-1-4-8-12)18-16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,20)(H,18,19)/t14-/m0/s1
InChIKeyDRJBUCAPALSOIC-AWEZNQCLSA-N
MW284.38 g/mol
LogP2.31
Rot. Bonds5

About N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide

N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide (PubChem CID 125464830) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
PubChem CID125464830
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
SMILESNC(=S)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c17-15(20)14(11-12-7-3-1-4-8-12)18-16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,20)(H,18,19)/t14-/m0/s1
InChIKeyDRJBUCAPALSOIC-AWEZNQCLSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
ethenyl (2S)-2-benzamido-3-phenylpropanoate
CID 90679313
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
CID 174325518
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide (CID 125464830) is N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide is NC(=S)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide?
The InChIKey is DRJBUCAPALSOIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-15(20)14(11-12-7-3-1-4-8-12)18-16(19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide?
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide has a molecular weight of 284.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide is sourced from PubChem (CID 125464830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).