4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide

C18H23N3O4S — CID 119331638

IUPAC4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H23N3O4S/c1-4-25-17-10-9-15(26(23,24)21(2)3)11-16(17)20-18(22)14-7-5-13(12-19)6-8-14/h5-11H,4,12,19H2,1-3H3,(H,20,22)
InChIKeyLMIXJMUATBQABD-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.05
Rot. Bonds7

About 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide

4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide (PubChem CID 119331638) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide
PubChem CID119331638
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H23N3O4S/c1-4-25-17-10-9-15(26(23,24)21(2)3)11-16(17)20-18(22)14-7-5-13(12-19)6-8-14/h5-11H,4,12,19H2,1-3H3,(H,20,22)
InChIKeyLMIXJMUATBQABD-UHFFFAOYSA-N
XLogP2.05
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 119797765
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide (CID 119331638) is 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide is CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide?
The InChIKey is LMIXJMUATBQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-25-17-10-9-15(26(23,24)21(2)3)11-16(17)20-18(22)14-7-5-13(12-19)6-8-14/h5-11H,4,12,19H2,1-3H3,(H,20,22).
What are the key properties of 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide?
4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide is sourced from PubChem (CID 119331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).