N-decyl-4-sulfanylbenzamide

C17H27NOS — CID 107032455

IUPACN-decyl-4-sulfanylbenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C17H27NOS/c1-2-3-4-5-6-7-8-9-14-18-17(19)15-10-12-16(20)13-11-15/h10-13,20H,2-9,14H2,1H3,(H,18,19)
InChIKeySKYINUNCSANZJJ-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.85
Rot. Bonds10

About N-decyl-4-sulfanylbenzamide

N-decyl-4-sulfanylbenzamide (PubChem CID 107032455) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-decyl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-decyl-4-sulfanylbenzamide
PubChem CID107032455
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-decyl-4-sulfanylbenzamide
SMILESCCCCCCCCCCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C17H27NOS/c1-2-3-4-5-6-7-8-9-14-18-17(19)15-10-12-16(20)13-11-15/h10-13,20H,2-9,14H2,1H3,(H,18,19)
InChIKeySKYINUNCSANZJJ-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-propylbenzamide
CID 70894310
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-pentyl-4-propylbenzamide
CID 70894308
4-bromo-N-hexadecylbenzamide
CID 54791037
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
N-decyl-3-sulfanylbenzamide
CID 107032454
4-bromo-N-pentylbenzamide
CID 4167913

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-sulfanylbenzamide?
The IUPAC name of N-decyl-4-sulfanylbenzamide (CID 107032455) is N-decyl-4-sulfanylbenzamide.
What is the SMILES notation for N-decyl-4-sulfanylbenzamide?
The canonical SMILES for N-decyl-4-sulfanylbenzamide is CCCCCCCCCCNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-decyl-4-sulfanylbenzamide?
The InChIKey is SKYINUNCSANZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-3-4-5-6-7-8-9-14-18-17(19)15-10-12-16(20)13-11-15/h10-13,20H,2-9,14H2,1H3,(H,18,19).
What are the key properties of N-decyl-4-sulfanylbenzamide?
N-decyl-4-sulfanylbenzamide has a molecular weight of 293.48 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-sulfanylbenzamide is sourced from PubChem (CID 107032455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).