N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide

C15H20F2N2O4S — CID 15118336

IUPACN-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide
SMILESCCC(=O)NC(=O)CN(C)S(=O)(=O)Cc1cccc(CC(F)F)c1
InChIInChI=1S/C15H20F2N2O4S/c1-3-14(20)18-15(21)9-19(2)24(22,23)10-12-6-4-5-11(7-12)8-13(16)17/h4-7,13H,3,8-10H2,1-2H3,(H,18,20,21)
InChIKeyBCLCALLLWAGXOW-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.31
Rot. Bonds8

About N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide

N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide (PubChem CID 15118336) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide.

Molecular Properties

Compound NameN-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide
PubChem CID15118336
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC NameN-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide
SMILESCCC(=O)NC(=O)CN(C)S(=O)(=O)Cc1cccc(CC(F)F)c1
InChIInChI=1S/C15H20F2N2O4S/c1-3-14(20)18-15(21)9-19(2)24(22,23)10-12-6-4-5-11(7-12)8-13(16)17/h4-7,13H,3,8-10H2,1-2H3,(H,18,20,21)
InChIKeyBCLCALLLWAGXOW-UHFFFAOYSA-N
XLogP1.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
CID 15118329
2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
CID 15118196
2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
CID 15118197
ethyl 2-[(3-fluorophenyl)methylsulfonyl-methylamino]acetate
CID 15118079
2-[(3-iodophenyl)methylsulfonyl-methylamino]acetate
CID 19837738
2-[(3-methoxycarbonylphenyl)methylsulfonyl-methylamino]acetic acid
CID 43362298
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
2-[(3-butylphenyl)methylsulfonyl-methylamino]ethanethioamide
CID 15118206
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120546631
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677
2-[(3-bromophenyl)methylsulfonyl-methylamino]ethanethioamide
CID 15118213

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide?
The IUPAC name of N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide (CID 15118336) is N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide.
What is the SMILES notation for N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide?
The canonical SMILES for N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide is CCC(=O)NC(=O)CN(C)S(=O)(=O)Cc1cccc(CC(F)F)c1.
What is the InChIKey of N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide?
The InChIKey is BCLCALLLWAGXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-3-14(20)18-15(21)9-19(2)24(22,23)10-12-6-4-5-11(7-12)8-13(16)17/h4-7,13H,3,8-10H2,1-2H3,(H,18,20,21).
What are the key properties of N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide?
N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide has a molecular weight of 362.40 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2,2-difluoroethyl)phenyl]methylsulfonyl-methylamino]acetyl]propanamide is sourced from PubChem (CID 15118336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).