N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide

C14H22N2O6S2 — CID 110356844

IUPACN-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCCCNC(C)=O
InChIInChI=1S/C14H22N2O6S2/c1-11(17)15-8-4-5-9-16-24(20,21)14-10-12(23(3,18)19)6-7-13(14)22-2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyFLOBSFJJNRTBHP-UHFFFAOYSA-N
MW378.47 g/mol
LogP0.29
Rot. Bonds9

About N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide

N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide (PubChem CID 110356844) has the molecular formula C14H22N2O6S2 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
PubChem CID110356844
Molecular FormulaC14H22N2O6S2
Molecular Weight378.47 g/mol
Exact Mass378.09
IUPAC NameN-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCCCNC(C)=O
InChIInChI=1S/C14H22N2O6S2/c1-11(17)15-8-4-5-9-16-24(20,21)14-10-12(23(3,18)19)6-7-13(14)22-2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyFLOBSFJJNRTBHP-UHFFFAOYSA-N
XLogP0.29
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide 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-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
CID 120820491
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 110758714
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
CID 15034440

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide?
The IUPAC name of N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide (CID 110356844) is N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide.
What is the SMILES notation for N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide?
The canonical SMILES for N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCCCNC(C)=O.
What is the InChIKey of N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide?
The InChIKey is FLOBSFJJNRTBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S2/c1-11(17)15-8-4-5-9-16-24(20,21)14-10-12(23(3,18)19)6-7-13(14)22-2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide?
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide is sourced from PubChem (CID 110356844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).