N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

C19H23F2N3O4S — CID 46808314

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H23F2N3O4S/c1-13(15-5-9-17(10-6-15)29(22,26)27)24(2)12-18(25)23-11-14-3-7-16(8-4-14)28-19(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyMYSZSANBVUYHAO-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.24
Rot. Bonds9

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 46808314) has the molecular formula C19H23F2N3O4S and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID46808314
Molecular FormulaC19H23F2N3O4S
Molecular Weight427.47 g/mol
Exact Mass427.14
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H23F2N3O4S/c1-13(15-5-9-17(10-6-15)29(22,26)27)24(2)12-18(25)23-11-14-3-7-16(8-4-14)28-19(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyMYSZSANBVUYHAO-UHFFFAOYSA-N
XLogP2.24
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
CID 42010369
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (CID 46808314) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is MYSZSANBVUYHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4S/c1-13(15-5-9-17(10-6-15)29(22,26)27)24(2)12-18(25)23-11-14-3-7-16(8-4-14)28-19(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 427.47 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 46808314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).