N-decyl-N-methyl-2-phenylsulfanylacetamide

C19H31NOS — CID 532870

IUPACN-decyl-N-methyl-2-phenylsulfanylacetamide
SMILESCCCCCCCCCCN(C)C(=O)CSc1ccccc1
InChIInChI=1S/C19H31NOS/c1-3-4-5-6-7-8-9-13-16-20(2)19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3
InChIKeyQHPYJVVRVIUJPU-UHFFFAOYSA-N
MW321.53 g/mol
LogP5.38
Rot. Bonds12

About N-decyl-N-methyl-2-phenylsulfanylacetamide

N-decyl-N-methyl-2-phenylsulfanylacetamide (PubChem CID 532870) has the molecular formula C19H31NOS and a molecular weight of 321.53 g/mol. Its IUPAC name is N-decyl-N-methyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-decyl-N-methyl-2-phenylsulfanylacetamide
PubChem CID532870
Molecular FormulaC19H31NOS
Molecular Weight321.53 g/mol
Exact Mass321.21
IUPAC NameN-decyl-N-methyl-2-phenylsulfanylacetamide
SMILESCCCCCCCCCCN(C)C(=O)CSc1ccccc1
InChIInChI=1S/C19H31NOS/c1-3-4-5-6-7-8-9-13-16-20(2)19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3
InChIKeyQHPYJVVRVIUJPU-UHFFFAOYSA-N
XLogP5.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-decyl-N-methyl-2-phenylsulfanylacetamide?
The IUPAC name of N-decyl-N-methyl-2-phenylsulfanylacetamide (CID 532870) is N-decyl-N-methyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-decyl-N-methyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-decyl-N-methyl-2-phenylsulfanylacetamide is CCCCCCCCCCN(C)C(=O)CSc1ccccc1.
What is the InChIKey of N-decyl-N-methyl-2-phenylsulfanylacetamide?
The InChIKey is QHPYJVVRVIUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOS/c1-3-4-5-6-7-8-9-13-16-20(2)19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3.
What are the key properties of N-decyl-N-methyl-2-phenylsulfanylacetamide?
N-decyl-N-methyl-2-phenylsulfanylacetamide has a molecular weight of 321.53 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-methyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 532870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).