N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

C18H23N3O3S — CID 119497804

IUPACN-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC(C)N)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-7-9-15(10-8-13)25(23,24)21-17-6-4-3-5-16(17)18(22)20-12-11-14(2)19/h3-10,14,21H,11-12,19H2,1-2H3,(H,20,22)
InChIKeyXOPCTTXWUQZWRC-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.26
Rot. Bonds7

About N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 119497804) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID119497804
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC(C)N)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-7-9-15(10-8-13)25(23,24)21-17-6-4-3-5-16(17)18(22)20-12-11-14(2)19/h3-10,14,21H,11-12,19H2,1-2H3,(H,20,22)
InChIKeyXOPCTTXWUQZWRC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536326
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412821
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 119497804) is N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XOPCTTXWUQZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-7-9-15(10-8-13)25(23,24)21-17-6-4-3-5-16(17)18(22)20-12-11-14(2)19/h3-10,14,21H,11-12,19H2,1-2H3,(H,20,22).
What are the key properties of N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 119497804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).