6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid

C21H28N2O5S — CID 10319970

IUPAC6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
SMILESCOc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C21H28N2O5S/c1-28-19-10-12-20(13-11-19)29(26,27)23-15-3-2-8-18(21(24)25)9-4-6-17-7-5-14-22-16-17/h5,7,10-14,16,18,23H,2-4,6,8-9,15H2,1H3,(H,24,25)
InChIKeyQMEDSVPADUWMFD-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.26
Rot. Bonds13

About 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid

6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid (PubChem CID 10319970) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
PubChem CID10319970
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
SMILESCOc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C21H28N2O5S/c1-28-19-10-12-20(13-11-19)29(26,27)23-15-3-2-8-18(21(24)25)9-4-6-17-7-5-14-22-16-17/h5,7,10-14,16,18,23H,2-4,6,8-9,15H2,1H3,(H,24,25)
InChIKeyQMEDSVPADUWMFD-UHFFFAOYSA-N
XLogP3.26
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)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-(5-formyl-8-pyridin-3-yloctyl)-4-methylsulfonylbenzenesulfonamide
CID 10343862
2-[8-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-yloctan-4-yl]sulfanylacetic acid
CID 11754506
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011
3-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-ylheptanoic acid
CID 57232810
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
(2S)-N-(1,7-dipyridin-3-ylheptan-4-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methyl-3-phenylpropanamide
CID 59963943
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid?
The IUPAC name of 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid (CID 10319970) is 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid.
What is the SMILES notation for 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid?
The canonical SMILES for 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid is COc1ccc(S(=O)(=O)NCCCCC(CCCc2cccnc2)C(=O)O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid?
The InChIKey is QMEDSVPADUWMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-28-19-10-12-20(13-11-19)29(26,27)23-15-3-2-8-18(21(24)25)9-4-6-17-7-5-14-22-16-17/h5,7,10-14,16,18,23H,2-4,6,8-9,15H2,1H3,(H,24,25).
What are the key properties of 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid?
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid has a molecular weight of 420.53 g/mol, XLogP of 3.26, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid is sourced from PubChem (CID 10319970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).