(2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide

C17H27NOS — CID 124673154

IUPAC(2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide
SMILESCCCCCCS[C@H](C(N)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NOS/c1-4-5-6-7-12-20-16(17(18)19)15-10-8-14(9-11-15)13(2)3/h8-11,13,16H,4-7,12H2,1-3H3,(H2,18,19)/t16-/m0/s1
InChIKeyWGYNRJVYDBCHCH-INIZCTEOSA-N
MW293.48 g/mol
LogP4.65
Rot. Bonds9

About (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide

(2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 124673154) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide
PubChem CID124673154
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide
SMILESCCCCCCS[C@H](C(N)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NOS/c1-4-5-6-7-12-20-16(17(18)19)15-10-8-14(9-11-15)13(2)3/h8-11,13,16H,4-7,12H2,1-3H3,(H2,18,19)/t16-/m0/s1
InChIKeyWGYNRJVYDBCHCH-INIZCTEOSA-N
XLogP4.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-dodecylsulfanylpentanamide
CID 89267031
2-dodecylsulfanyl-2-thiophen-3-ylacetic acid
CID 70855199
2-(4-chlorophenyl)-2-(3,3,3-trifluoropropylsulfanyl)acetamide;molecular oxygen
CID 158822565
cumene;octanoic acid
CID 174815768
(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide
CID 96550452
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400
2-butylsulfanyl-1,2-diphenylethanone
CID 4125598
2-(diethylamino)-2-(4-propan-2-ylphenyl)acetamide
CID 112510339
1-O-octyl 10-O-(4-propan-2-ylphenyl) decanedioate
CID 91715578
4-[bis(hexylsulfanylmethyl)amino]benzamide
CID 172994231
3-hexylsulfanylbenzene-1,2-dicarboxamide
CID 70597719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide (CID 124673154) is (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide is CCCCCCS[C@H](C(N)=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WGYNRJVYDBCHCH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-5-6-7-12-20-16(17(18)19)15-10-8-14(9-11-15)13(2)3/h8-11,13,16H,4-7,12H2,1-3H3,(H2,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide?
(2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 293.48 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hexylsulfanyl-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 124673154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).