N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide

C21H21ClN2O3S — CID 26594048

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21ClN2O3S/c1-24(15-16-6-9-19(22)10-7-16)21(25)12-13-23-28(26,27)20-11-8-17-4-2-3-5-18(17)14-20/h2-11,14,23H,12-13,15H2,1H3
InChIKeyXEWUWWAKOSBIAG-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.82
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 26594048) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID26594048
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21ClN2O3S/c1-24(15-16-6-9-19(22)10-7-16)21(25)12-13-23-28(26,27)20-11-8-17-4-2-3-5-18(17)14-20/h2-11,14,23H,12-13,15H2,1H3
InChIKeyXEWUWWAKOSBIAG-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 34872762
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55621504
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552043
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylhexanamide
CID 31987082
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide
CID 3886966

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 26594048) is N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide is CN(Cc1ccc(Cl)cc1)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is XEWUWWAKOSBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-24(15-16-6-9-19(22)10-7-16)21(25)12-13-23-28(26,27)20-11-8-17-4-2-3-5-18(17)14-20/h2-11,14,23H,12-13,15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 416.93 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 26594048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).