2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide

C15H21F2NO4S — CID 95329453

IUPAC2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide
SMILESC[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO4S/c1-10(11(2)23(4,20)21)18(3)14(19)9-12-5-7-13(8-6-12)22-15(16)17/h5-8,10-11,15H,9H2,1-4H3/t10-,11+/m1/s1
InChIKeyJUACHFNCKQKMRQ-MNOVXSKESA-N
MW349.40 g/mol
LogP2.11
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide (PubChem CID 95329453) has the molecular formula C15H21F2NO4S and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide
PubChem CID95329453
Molecular FormulaC15H21F2NO4S
Molecular Weight349.40 g/mol
Exact Mass349.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide
SMILESC[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO4S/c1-10(11(2)23(4,20)21)18(3)14(19)9-12-5-7-13(8-6-12)22-15(16)17/h5-8,10-11,15H,9H2,1-4H3/t10-,11+/m1/s1
InChIKeyJUACHFNCKQKMRQ-MNOVXSKESA-N
XLogP2.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide (CID 95329453) is 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide is C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide?
The InChIKey is JUACHFNCKQKMRQ-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21F2NO4S/c1-10(11(2)23(4,20)21)18(3)14(19)9-12-5-7-13(8-6-12)22-15(16)17/h5-8,10-11,15H,9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide has a molecular weight of 349.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide is sourced from PubChem (CID 95329453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).