N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane

C12H16Cl2N2O2S — CID 157235630

IUPACN-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
SMILESC[C@@H](CCC(N)=O)NC(=O)c1ccc(Cl)c(Cl)c1.S
InChIInChI=1S/C12H14Cl2N2O2.H2S/c1-7(2-5-11(15)17)16-12(18)8-3-4-9(13)10(14)6-8;/h3-4,6-7H,2,5H2,1H3,(H2,15,17)(H,16,18);1H2/t7-;/m0./s1
InChIKeyAUPGZKWDQZKNEB-FJXQXJEOSA-N
MW323.25 g/mol
LogP2.49
Rot. Bonds5

About N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane

N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane (PubChem CID 157235630) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane.

Molecular Properties

Compound NameN-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
PubChem CID157235630
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
SMILESC[C@@H](CCC(N)=O)NC(=O)c1ccc(Cl)c(Cl)c1.S
InChIInChI=1S/C12H14Cl2N2O2.H2S/c1-7(2-5-11(15)17)16-12(18)8-3-4-9(13)10(14)6-8;/h3-4,6-7H,2,5H2,1H3,(H2,15,17)(H,16,18);1H2/t7-;/m0./s1
InChIKeyAUPGZKWDQZKNEB-FJXQXJEOSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
N-[(2S)-6-aminohexan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 158295050
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane?
The IUPAC name of N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane (CID 157235630) is N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane.
What is the SMILES notation for N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane?
The canonical SMILES for N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane is C[C@@H](CCC(N)=O)NC(=O)c1ccc(Cl)c(Cl)c1.S.
What is the InChIKey of N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane?
The InChIKey is AUPGZKWDQZKNEB-FJXQXJEOSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.H2S/c1-7(2-5-11(15)17)16-12(18)8-3-4-9(13)10(14)6-8;/h3-4,6-7H,2,5H2,1H3,(H2,15,17)(H,16,18);1H2/t7-;/m0./s1.
What are the key properties of N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane?
N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane has a molecular weight of 323.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane is sourced from PubChem (CID 157235630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).