5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide

C18H23N3O3S — CID 120635515

IUPAC5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-4-11-25(23,24)21-16-9-7-15(8-10-16)20-18(22)17-12-14(19)6-5-13(17)2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22)
InChIKeyBTJWSRMMDBVZIW-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.37
Rot. Bonds7

About 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide

5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide (PubChem CID 120635515) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide
PubChem CID120635515
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-4-11-25(23,24)21-16-9-7-15(8-10-16)20-18(22)17-12-14(19)6-5-13(17)2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22)
InChIKeyBTJWSRMMDBVZIW-UHFFFAOYSA-N
XLogP3.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
CID 120625137
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822028
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 71874430
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide (CID 120635515) is 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide is CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(N)ccc2C)cc1.
What is the InChIKey of 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide?
The InChIKey is BTJWSRMMDBVZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-4-11-25(23,24)21-16-9-7-15(8-10-16)20-18(22)17-12-14(19)6-5-13(17)2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide?
5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide has a molecular weight of 361.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120635515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).