N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide

C15H20N2O2S — CID 7971393

IUPACN-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
SMILESC=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-3-10-16-15(19)13(9-11-20-2)17-14(18)12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyHJNLNWOEEIUWAJ-CYBMUJFWSA-N
MW292.40 g/mol
LogP1.84
Rot. Bonds8

About N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide

N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide (PubChem CID 7971393) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
PubChem CID7971393
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
SMILESC=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-3-10-16-15(19)13(9-11-20-2)17-14(18)12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyHJNLNWOEEIUWAJ-CYBMUJFWSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 135012368
N-[1-(3-aminobutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 119496086
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
N-[1-[(2-amino-2-ethylbutyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119640798
4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2973766
N-[(2S)-1-[2-(3,4-dimethylphenoxy)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 7304186
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282515
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282517
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
propyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 67365199
2-[(2-benzamido-4-methylsulfanylbutanoyl)-methylamino]acetic acid
CID 119171954
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide (CID 7971393) is N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide is C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide?
The InChIKey is HJNLNWOEEIUWAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-10-16-15(19)13(9-11-20-2)17-14(18)12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3,(H,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide?
N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide has a molecular weight of 292.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide is sourced from PubChem (CID 7971393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).