2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide

C19H34N2O5S — CID 70938746

IUPAC2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide
SMILESCOc1cc(CNCCCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C19H34N2O5S/c1-19(2,3)27(22,23)21-11-9-7-8-10-20-14-15-12-16(24-4)18(26-6)17(13-15)25-5/h12-13,20-21H,7-11,14H2,1-6H3
InChIKeyNNZJDCQZLJGCIE-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.69
Rot. Bonds12

About 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide

2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide (PubChem CID 70938746) has the molecular formula C19H34N2O5S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide
PubChem CID70938746
Molecular FormulaC19H34N2O5S
Molecular Weight402.56 g/mol
Exact Mass402.22
IUPAC Name2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide
SMILESCOc1cc(CNCCCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C19H34N2O5S/c1-19(2,3)27(22,23)21-11-9-7-8-10-20-14-15-12-16(24-4)18(26-6)17(13-15)25-5/h12-13,20-21H,7-11,14H2,1-6H3
InChIKeyNNZJDCQZLJGCIE-UHFFFAOYSA-N
XLogP2.69
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide 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

3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid
CID 11244091
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
N-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 102675085
3-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115639480
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954
4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190964
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632786
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 20629413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide (CID 70938746) is 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide is COc1cc(CNCCCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide?
The InChIKey is NNZJDCQZLJGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5S/c1-19(2,3)27(22,23)21-11-9-7-8-10-20-14-15-12-16(24-4)18(26-6)17(13-15)25-5/h12-13,20-21H,7-11,14H2,1-6H3.
What are the key properties of 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide?
2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 2.69, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70938746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).