N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide

C22H25N3O3S — CID 78732784

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N3O3S/c1-16(25(4)20-13-12-17-8-5-6-9-18(17)14-20)22(26)23-19-10-7-11-21(15-19)29(27,28)24(2)3/h5-16H,1-4H3,(H,23,26)
InChIKeyYUFUTJWXEWXQTP-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.55
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide (PubChem CID 78732784) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
PubChem CID78732784
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
SMILESCC(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N3O3S/c1-16(25(4)20-13-12-17-8-5-6-9-18(17)14-20)22(26)23-19-10-7-11-21(15-19)29(27,28)24(2)3/h5-16H,1-4H3,(H,23,26)
InChIKeyYUFUTJWXEWXQTP-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
CID 78818809
2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide
CID 78834676
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 18163583
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 42989899
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide (CID 78732784) is N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide is CC(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide?
The InChIKey is YUFUTJWXEWXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16(25(4)20-13-12-17-8-5-6-9-18(17)14-20)22(26)23-19-10-7-11-21(15-19)29(27,28)24(2)3/h5-16H,1-4H3,(H,23,26).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide has a molecular weight of 411.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide is sourced from PubChem (CID 78732784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).