2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide

C17H28N2OS — CID 64711254

IUPAC2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
SMILESCCNC(C)(CC(C)Sc1ccc(C(C)C)cc1)C(N)=O
InChIInChI=1S/C17H28N2OS/c1-6-19-17(5,16(18)20)11-13(4)21-15-9-7-14(8-10-15)12(2)3/h7-10,12-13,19H,6,11H2,1-5H3,(H2,18,20)
InChIKeyKGCGSZMEUDBYNE-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.53
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide

2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide (PubChem CID 64711254) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
PubChem CID64711254
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
SMILESCCNC(C)(CC(C)Sc1ccc(C(C)C)cc1)C(N)=O
InChIInChI=1S/C17H28N2OS/c1-6-19-17(5,16(18)20)11-13(4)21-15-9-7-14(8-10-15)12(2)3/h7-10,12-13,19H,6,11H2,1-5H3,(H2,18,20)
InChIKeyKGCGSZMEUDBYNE-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide
CID 64710518
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
2-(ethylamino)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 63237795
2-methyl-4-(4-propan-2-ylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711915
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoic acid
CID 64710033
ethyl 2-(ethylamino)-2-methyl-4-(2-methylphenyl)sulfanylpentanoate
CID 64709365
ethyl 4-(4-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentanoate
CID 64710615
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide (CID 64711254) is 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide is CCNC(C)(CC(C)Sc1ccc(C(C)C)cc1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide?
The InChIKey is KGCGSZMEUDBYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-19-17(5,16(18)20)11-13(4)21-15-9-7-14(8-10-15)12(2)3/h7-10,12-13,19H,6,11H2,1-5H3,(H2,18,20).
What are the key properties of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide?
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide has a molecular weight of 308.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide is sourced from PubChem (CID 64711254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).