3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

C26H32N4O3S — CID 45159766

IUPAC3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(CNc2cc(C(=O)N(C)C(C)c3ccccn3)cc(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C26H32N4O3S/c1-18-10-11-21(13-19(18)2)17-28-23-14-22(15-24(16-23)34(32,33)29(4)5)26(31)30(6)20(3)25-9-7-8-12-27-25/h7-16,20,28H,17H2,1-6H3
InChIKeyFSACQTJWLKBVKK-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.39
Rot. Bonds8

About 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 45159766) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID45159766
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(CNc2cc(C(=O)N(C)C(C)c3ccccn3)cc(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C26H32N4O3S/c1-18-10-11-21(13-19(18)2)17-28-23-14-22(15-24(16-23)34(32,33)29(4)5)26(31)30(6)20(3)25-9-7-8-12-27-25/h7-16,20,28H,17H2,1-6H3
InChIKeyFSACQTJWLKBVKK-UHFFFAOYSA-N
XLogP4.39
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 26234414
3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118759550
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86861279
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide
CID 26223660
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 95614918
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 136579493
3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26144970
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431185
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227326
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 45159766) is 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is Cc1ccc(CNc2cc(C(=O)N(C)C(C)c3ccccn3)cc(S(=O)(=O)N(C)C)c2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is FSACQTJWLKBVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18-10-11-21(13-19(18)2)17-28-23-14-22(15-24(16-23)34(32,33)29(4)5)26(31)30(6)20(3)25-9-7-8-12-27-25/h7-16,20,28H,17H2,1-6H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 480.63 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 45159766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).