2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide

C14H22N2OS — CID 112738010

IUPAC2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide
SMILESCSc1ccc(CNC(C)(C(N)=O)C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)14(3,13(15)17)16-9-11-5-7-12(18-4)8-6-11/h5-8,10,16H,9H2,1-4H3,(H2,15,17)
InChIKeyUSGNSSCGWNFJCG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.40
Rot. Bonds6

About 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide

2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide (PubChem CID 112738010) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide
PubChem CID112738010
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide
SMILESCSc1ccc(CNC(C)(C(N)=O)C(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)14(3,13(15)17)16-9-11-5-7-12(18-4)8-6-11/h5-8,10,16H,9H2,1-4H3,(H2,15,17)
InChIKeyUSGNSSCGWNFJCG-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
ethyl 2-[[4-(hydroxymethyl)phenyl]methylamino]-2,3-dimethylbutanoate
CID 110009484
2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 19901111
ethyl 2-[(4-methylsulfanylphenyl)methylamino]propanoate
CID 54960333
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 115157586
1,1,1-trifluoro-N-[(4-methylsulfanylphenyl)methyl]methanesulfonamide
CID 154379729
2-[4-[(4-methylsulfanylanilino)methyl]phenyl]propanoic acid
CID 103232548
4-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzoic acid
CID 65347964
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide?
The IUPAC name of 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide (CID 112738010) is 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide.
What is the SMILES notation for 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide?
The canonical SMILES for 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide is CSc1ccc(CNC(C)(C(N)=O)C(C)C)cc1.
What is the InChIKey of 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide?
The InChIKey is USGNSSCGWNFJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)14(3,13(15)17)16-9-11-5-7-12(18-4)8-6-11/h5-8,10,16H,9H2,1-4H3,(H2,15,17).
What are the key properties of 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide?
2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide has a molecular weight of 266.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(4-methylsulfanylphenyl)methylamino]butanamide is sourced from PubChem (CID 112738010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).