3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide

C18H20F2N2O4S — CID 31238693

IUPAC3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20F2N2O4S/c1-22(13-14-7-9-15(10-8-14)26-18(19)20)17(23)11-12-21-27(24,25)16-5-3-2-4-6-16/h2-10,18,21H,11-13H2,1H3
InChIKeyRGVBVVHXAMBHJN-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.62
Rot. Bonds9

About 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide

3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide (PubChem CID 31238693) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
PubChem CID31238693
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC Name3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20F2N2O4S/c1-22(13-14-7-9-15(10-8-14)26-18(19)20)17(23)11-12-21-27(24,25)16-5-3-2-4-6-16/h2-10,18,21H,11-13H2,1H3
InChIKeyRGVBVVHXAMBHJN-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-nitroanilino)propanamide
CID 51328603
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55359274

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide (CID 31238693) is 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The InChIKey is RGVBVVHXAMBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-22(13-14-7-9-15(10-8-14)26-18(19)20)17(23)11-12-21-27(24,25)16-5-3-2-4-6-16/h2-10,18,21H,11-13H2,1H3.
What are the key properties of 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide has a molecular weight of 398.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 31238693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).