N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide

C14H21NOS — CID 107028010

IUPACN-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
SMILESCCCCC(C)NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H21NOS/c1-3-4-5-11(2)15-14(16)10-12-6-8-13(17)9-7-12/h6-9,11,17H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyDQCCXWVHFXNRRH-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.21
Rot. Bonds6

About N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide

N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107028010) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
PubChem CID107028010
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
SMILESCCCCC(C)NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H21NOS/c1-3-4-5-11(2)15-14(16)10-12-6-8-13(17)9-7-12/h6-9,11,17H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyDQCCXWVHFXNRRH-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
CID 43172656
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
N-hexan-2-ylbutanamide
CID 64592038
N-(1-methoxy-3-methylbutan-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107031129
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide (CID 107028010) is N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide is CCCCC(C)NC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is DQCCXWVHFXNRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-4-5-11(2)15-14(16)10-12-6-8-13(17)9-7-12/h6-9,11,17H,3-5,10H2,1-2H3,(H,15,16).
What are the key properties of N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide?
N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 251.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107028010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).