N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide

C13H19NOS — CID 94223671

IUPACN-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
SMILESCC(C)[C@@H](C)NC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-10(2)11(3)14-13(15)9-16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyINSVKYCALSWULK-LLVKDONJSA-N
MW237.37 g/mol
LogP2.94
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide

N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide (PubChem CID 94223671) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
PubChem CID94223671
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
SMILESCC(C)[C@@H](C)NC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-10(2)11(3)14-13(15)9-16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyINSVKYCALSWULK-LLVKDONJSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
CID 60698063
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
3,3-dimethyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43467436
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 66347840
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
CID 78991804

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide (CID 94223671) is N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide is CC(C)[C@@H](C)NC(=O)CSc1ccccc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is INSVKYCALSWULK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(2)11(3)14-13(15)9-16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide?
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 237.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 94223671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).