2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide

C14H18ClF2NOS — CID 12007557

IUPAC2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(F)(F)Sc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H18ClF2NOS/c1-9(2)18(10(3)4)13(19)14(16,17)20-12-7-5-11(15)6-8-12/h5-10H,1-4H3
InChIKeyWCLQBQZTENMCEM-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.67
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide

2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide (PubChem CID 12007557) has the molecular formula C14H18ClF2NOS and a molecular weight of 321.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide
PubChem CID12007557
Molecular FormulaC14H18ClF2NOS
Molecular Weight321.82 g/mol
Exact Mass321.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(F)(F)Sc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H18ClF2NOS/c1-9(2)18(10(3)4)13(19)14(16,17)20-12-7-5-11(15)6-8-12/h5-10H,1-4H3
InChIKeyWCLQBQZTENMCEM-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide (CID 12007557) is 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)C(F)(F)Sc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide?
The InChIKey is WCLQBQZTENMCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NOS/c1-9(2)18(10(3)4)13(19)14(16,17)20-12-7-5-11(15)6-8-12/h5-10H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide has a molecular weight of 321.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 12007557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).