2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide

C14H22N2O4S — CID 3271656

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-8-15-14(17)10-16(3)21(18,19)13-9-11(2)6-7-12(13)20-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,17)
InChIKeyFMENLRZRVZLQQE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.15
Rot. Bonds7

About 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 3271656) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID3271656
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-8-15-14(17)10-16(3)21(18,19)13-9-11(2)6-7-12(13)20-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,17)
InChIKeyFMENLRZRVZLQQE-UHFFFAOYSA-N
XLogP1.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide 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-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 4023832
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61126734
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281
N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 27260887
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3251589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide (CID 3271656) is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is FMENLRZRVZLQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-8-15-14(17)10-16(3)21(18,19)13-9-11(2)6-7-12(13)20-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide?
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 314.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 3271656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).