3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C15H21F2NO2S — CID 61039561

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2S/c1-11(2)18(7-3-8-19)15(20)6-9-21-12-4-5-13(16)14(17)10-12/h4-5,10-11,19H,3,6-9H2,1-2H3
InChIKeyGRCZNXRFFJDNGZ-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.07
Rot. Bonds8

About 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 61039561) has the molecular formula C15H21F2NO2S and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID61039561
Molecular FormulaC15H21F2NO2S
Molecular Weight317.40 g/mol
Exact Mass317.13
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2S/c1-11(2)18(7-3-8-19)15(20)6-9-21-12-4-5-13(16)14(17)10-12/h4-5,10-11,19H,3,6-9H2,1-2H3
InChIKeyGRCZNXRFFJDNGZ-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 61039561) is 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CCSc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is GRCZNXRFFJDNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2S/c1-11(2)18(7-3-8-19)15(20)6-9-21-12-4-5-13(16)14(17)10-12/h4-5,10-11,19H,3,6-9H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 317.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61039561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).