6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid

C20H32N2O5S — CID 166922498

IUPAC6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)CCCCCC(=O)O)cc1
InChIInChI=1S/C20H32N2O5S/c1-4-14-22(15-5-2)28(26,27)18-12-10-17(11-13-18)20(25)21(3)16-8-6-7-9-19(23)24/h10-13H,4-9,14-16H2,1-3H3,(H,23,24)
InChIKeyMQNUPQWWTYOEQO-UHFFFAOYSA-N
MW412.55 g/mol
LogP3.21
Rot. Bonds13

About 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid

6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid (PubChem CID 166922498) has the molecular formula C20H32N2O5S and a molecular weight of 412.55 g/mol. Its IUPAC name is 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
PubChem CID166922498
Molecular FormulaC20H32N2O5S
Molecular Weight412.55 g/mol
Exact Mass412.20
IUPAC Name6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)CCCCCC(=O)O)cc1
InChIInChI=1S/C20H32N2O5S/c1-4-14-22(15-5-2)28(26,27)18-12-10-17(11-13-18)20(25)21(3)16-8-6-7-9-19(23)24/h10-13H,4-9,14-16H2,1-3H3,(H,23,24)
InChIKeyMQNUPQWWTYOEQO-UHFFFAOYSA-N
XLogP3.21
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
6-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]hexanoic acid
CID 86217743
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
3-[4-[3-[(4-phenylphenyl)sulfonyl-propylamino]propyl]phenyl]propanoic acid
CID 58712936
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
N,N-dipropylbenzenesulfonamide
CID 4053954

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid?
The IUPAC name of 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid (CID 166922498) is 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid.
What is the SMILES notation for 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid?
The canonical SMILES for 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)CCCCCC(=O)O)cc1.
What is the InChIKey of 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid?
The InChIKey is MQNUPQWWTYOEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5S/c1-4-14-22(15-5-2)28(26,27)18-12-10-17(11-13-18)20(25)21(3)16-8-6-7-9-19(23)24/h10-13H,4-9,14-16H2,1-3H3,(H,23,24).
What are the key properties of 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid?
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid has a molecular weight of 412.55 g/mol, XLogP of 3.21, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid is sourced from PubChem (CID 166922498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).