N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide

C13H19ClN2O2S — CID 106160874

IUPACN-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide
SMILESCSC(CO)C(C)NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9(12(8-17)19-2)15-7-13(18)16-11-5-3-4-10(14)6-11/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyNCMHRQVXKKCNNX-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.98
Rot. Bonds7

About N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide

N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide (PubChem CID 106160874) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide
PubChem CID106160874
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide
SMILESCSC(CO)C(C)NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9(12(8-17)19-2)15-7-13(18)16-11-5-3-4-10(14)6-11/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyNCMHRQVXKKCNNX-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 106160802
2-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methylphenyl)urea
CID 113240160
methyl 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692670
N-(3-chlorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66171426

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide (CID 106160874) is N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide is CSC(CO)C(C)NCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide?
The InChIKey is NCMHRQVXKKCNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9(12(8-17)19-2)15-7-13(18)16-11-5-3-4-10(14)6-11/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide?
N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide has a molecular weight of 302.83 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 106160874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).