4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide

C17H28N2OS — CID 64709114

IUPAC4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCc1ccc(SC(C)CC(C)(NC(C)C)C(N)=O)c(C)c1
InChIInChI=1S/C17H28N2OS/c1-11(2)19-17(6,16(18)20)10-14(5)21-15-8-7-12(3)9-13(15)4/h7-9,11,14,19H,10H2,1-6H3,(H2,18,20)
InChIKeyIDMDBEYMVBJILY-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.42
Rot. Bonds7

About 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide

4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide (PubChem CID 64709114) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
PubChem CID64709114
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCc1ccc(SC(C)CC(C)(NC(C)C)C(N)=O)c(C)c1
InChIInChI=1S/C17H28N2OS/c1-11(2)19-17(6,16(18)20)10-14(5)21-15-8-7-12(3)9-13(15)4/h7-9,11,14,19H,10H2,1-6H3,(H2,18,20)
InChIKeyIDMDBEYMVBJILY-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709700
4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710913
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentanoic acid
CID 64711047
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
4-(2,5-dimethylphenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711087
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
ethyl 2-(2,4-dimethylphenyl)sulfanylbutanoate
CID 60730907
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
ethyl 2-(ethylamino)-2-methyl-4-(2-methylphenyl)sulfanylpentanoate
CID 64709365

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide (CID 64709114) is 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide is Cc1ccc(SC(C)CC(C)(NC(C)C)C(N)=O)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
The InChIKey is IDMDBEYMVBJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-11(2)19-17(6,16(18)20)10-14(5)21-15-8-7-12(3)9-13(15)4/h7-9,11,14,19H,10H2,1-6H3,(H2,18,20).
What are the key properties of 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide has a molecular weight of 308.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 64709114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).