N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide

C17H29N3O4S — CID 119657426

IUPACN-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C17H29N3O4S/c1-13(2)16(18)8-10-20(3)17(21)14-6-5-7-15(12-14)25(22,23)19-9-11-24-4/h5-7,12-13,16,19H,8-11,18H2,1-4H3
InChIKeyANVFVDMSIJHWLM-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.06
Rot. Bonds10

About N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide

N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide (PubChem CID 119657426) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
PubChem CID119657426
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C17H29N3O4S/c1-13(2)16(18)8-10-20(3)17(21)14-6-5-7-15(12-14)25(22,23)19-9-11-24-4/h5-7,12-13,16,19H,8-11,18H2,1-4H3
InChIKeyANVFVDMSIJHWLM-UHFFFAOYSA-N
XLogP1.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 134045496
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 55579772
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide (CID 119657426) is N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide is COCCNS(=O)(=O)c1cccc(C(=O)N(C)CCC(N)C(C)C)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The InChIKey is ANVFVDMSIJHWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-13(2)16(18)8-10-20(3)17(21)14-6-5-7-15(12-14)25(22,23)19-9-11-24-4/h5-7,12-13,16,19H,8-11,18H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide has a molecular weight of 371.50 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 119657426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).