N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C19H25N3O4S — CID 119497549

IUPACN-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)N)c2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(20)11-12-21-19(23)15-5-4-6-18(13-15)27(24,25)22(2)16-7-9-17(26-3)10-8-16/h4-10,13-14H,11-12,20H2,1-3H3,(H,21,23)
InChIKeyCKKCCLMYWHHCPC-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.99
Rot. Bonds8

About N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 119497549) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID119497549
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)N)c2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(20)11-12-21-19(23)15-5-4-6-18(13-15)27(24,25)22(2)16-7-9-17(26-3)10-8-16/h4-10,13-14H,11-12,20H2,1-3H3,(H,21,23)
InChIKeyCKKCCLMYWHHCPC-UHFFFAOYSA-N
XLogP1.99
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 119497549) is N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)N)c2)cc1.
What is the InChIKey of N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is CKKCCLMYWHHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14(20)11-12-21-19(23)15-5-4-6-18(13-15)27(24,25)22(2)16-7-9-17(26-3)10-8-16/h4-10,13-14H,11-12,20H2,1-3H3,(H,21,23).
What are the key properties of N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 119497549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).