N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide

C18H18FN3O3S — CID 39860929

IUPACN-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-22(13-15-4-2-14(12-20)3-5-15)18(23)10-11-21-26(24,25)17-8-6-16(19)7-9-17/h2-9,21H,10-11,13H2,1H3
InChIKeyXYVNNSMHLQZHFA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.02
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide

N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 39860929) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID39860929
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-22(13-15-4-2-14(12-20)3-5-15)18(23)10-11-21-26(24,25)17-8-6-16(19)7-9-17/h2-9,21H,10-11,13H2,1H3
InChIKeyXYVNNSMHLQZHFA-UHFFFAOYSA-N
XLogP2.02
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39860943
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 51177409
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 39860929) is N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is XYVNNSMHLQZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-22(13-15-4-2-14(12-20)3-5-15)18(23)10-11-21-26(24,25)17-8-6-16(19)7-9-17/h2-9,21H,10-11,13H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 375.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 39860929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).