N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide

C18H23N3O3S — CID 28867137

IUPACN-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(N)ccc2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)25(23,24)16-10-7-14(8-11-16)18(22)20-17-12-15(19)9-6-13(17)3/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyQIFJKECWNNPVCB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.86
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide

N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide (PubChem CID 28867137) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
PubChem CID28867137
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(N)ccc2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)25(23,24)16-10-7-14(8-11-16)18(22)20-17-12-15(19)9-6-13(17)3/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKeyQIFJKECWNNPVCB-UHFFFAOYSA-N
XLogP2.86
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
CID 120568913
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide (CID 28867137) is N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(N)ccc2C)cc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is QIFJKECWNNPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-21(5-2)25(23,24)16-10-7-14(8-11-16)18(22)20-17-12-15(19)9-6-13(17)3/h6-12H,4-5,19H2,1-3H3,(H,20,22).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide?
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 28867137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).