N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide

C10H20F2N2O4S2 — CID 103769932

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(O)C(F)F
InChIInChI=1S/C10H20F2N2O4S2/c1-3-20(17,18)14-7(4-5-19-2)10(16)13-6-8(15)9(11)12/h7-9,14-15H,3-6H2,1-2H3,(H,13,16)
InChIKeyATHCHANRHNZCQV-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.21
Rot. Bonds10

About N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide (PubChem CID 103769932) has the molecular formula C10H20F2N2O4S2 and a molecular weight of 334.41 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
PubChem CID103769932
Molecular FormulaC10H20F2N2O4S2
Molecular Weight334.41 g/mol
Exact Mass334.08
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(O)C(F)F
InChIInChI=1S/C10H20F2N2O4S2/c1-3-20(17,18)14-7(4-5-19-2)10(16)13-6-8(15)9(11)12/h7-9,14-15H,3-6H2,1-2H3,(H,13,16)
InChIKeyATHCHANRHNZCQV-UHFFFAOYSA-N
XLogP-0.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide (CID 103769932) is N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide?
The InChIKey is ATHCHANRHNZCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O4S2/c1-3-20(17,18)14-7(4-5-19-2)10(16)13-6-8(15)9(11)12/h7-9,14-15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide has a molecular weight of 334.41 g/mol, XLogP of -0.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103769932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).