N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide

C14H21N3O3S — CID 103867138

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide
SMILESCSC(CO)C(C)NC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O3S/c1-10(12(9-18)21-2)16-13(19)8-15-14(20)17-11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,16,19)(H2,15,17,20)
InChIKeyDSPFJEXPDPXZDZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.04
Rot. Bonds7

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide (PubChem CID 103867138) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide
PubChem CID103867138
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide
SMILESCSC(CO)C(C)NC(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O3S/c1-10(12(9-18)21-2)16-13(19)8-15-14(20)17-11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,16,19)(H2,15,17,20)
InChIKeyDSPFJEXPDPXZDZ-UHFFFAOYSA-N
XLogP1.04
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methylphenyl)urea
CID 113240160
2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798755
ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
CID 103801268
2-methyl-4-[[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 80536782
1-(3,4-difluorophenyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111442910
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 106160802
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
N-(2-hydroxy-2-methylpropyl)-2-(phenylcarbamoylamino)acetamide
CID 65109810
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
CID 103801417
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide (CID 103867138) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide is CSC(CO)C(C)NC(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide?
The InChIKey is DSPFJEXPDPXZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(12(9-18)21-2)16-13(19)8-15-14(20)17-11-6-4-3-5-7-11/h3-7,10,12,18H,8-9H2,1-2H3,(H,16,19)(H2,15,17,20).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(phenylcarbamoylamino)acetamide is sourced from PubChem (CID 103867138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).