N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide

C20H27N3O3S — CID 119384310

IUPACN-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN)ccc2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-3-4-5-16-7-10-18(11-8-16)23-27(25,26)19-14-17(9-6-15(19)2)20(24)22-13-12-21/h6-11,14,23H,3-5,12-13,21H2,1-2H3,(H,22,24)
InChIKeyFEBPBGSXPBOAJG-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.83
Rot. Bonds9

About N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide

N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 119384310) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID119384310
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN)ccc2C)cc1
InChIInChI=1S/C20H27N3O3S/c1-3-4-5-16-7-10-18(11-8-16)23-27(25,26)19-14-17(9-6-15(19)2)20(24)22-13-12-21/h6-11,14,23H,3-5,12-13,21H2,1-2H3,(H,22,24)
InChIKeyFEBPBGSXPBOAJG-UHFFFAOYSA-N
XLogP2.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide (CID 119384310) is N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide is CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN)ccc2C)cc1.
What is the InChIKey of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is FEBPBGSXPBOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-3-4-5-16-7-10-18(11-8-16)23-27(25,26)19-14-17(9-6-15(19)2)20(24)22-13-12-21/h6-11,14,23H,3-5,12-13,21H2,1-2H3,(H,22,24).
What are the key properties of N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide?
N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 389.52 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 119384310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).