N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide

C18H23N3O4S — CID 109063603

IUPACN-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O4S/c1-21(2)16-9-7-15(8-10-16)20-18(22)14-5-4-6-17(13-14)26(23,24)19-11-12-25-3/h4-10,13,19H,11-12H2,1-3H3,(H,20,22)
InChIKeyPUUPHJHIVXUXMV-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.93
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide

N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 109063603) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID109063603
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O4S/c1-21(2)16-9-7-15(8-10-16)20-18(22)14-5-4-6-17(13-14)26(23,24)19-11-12-25-3/h4-10,13,19H,11-12H2,1-3H3,(H,20,22)
InChIKeyPUUPHJHIVXUXMV-UHFFFAOYSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
CID 109064040
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide (CID 109063603) is N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is PUUPHJHIVXUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-21(2)16-9-7-15(8-10-16)20-18(22)14-5-4-6-17(13-14)26(23,24)19-11-12-25-3/h4-10,13,19H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide?
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 109063603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).