N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C25H34N2O5S — CID 55843868

IUPACN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCOc1cc(C(C)NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OC1CCCC1
InChIInChI=1S/C25H34N2O5S/c1-17-9-11-22(15-18(17)2)33(29,30)26-14-13-25(28)27-19(3)20-10-12-23(24(16-20)31-4)32-21-7-5-6-8-21/h9-12,15-16,19,21,26H,5-8,13-14H2,1-4H3,(H,27,28)
InChIKeyDBHQVIMQFFOGQS-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.18
Rot. Bonds10

About N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 55843868) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID55843868
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC NameN-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCOc1cc(C(C)NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OC1CCCC1
InChIInChI=1S/C25H34N2O5S/c1-17-9-11-22(15-18(17)2)33(29,30)26-14-13-25(28)27-19(3)20-10-12-23(24(16-20)31-4)32-21-7-5-6-8-21/h9-12,15-16,19,21,26H,5-8,13-14H2,1-4H3,(H,27,28)
InChIKeyDBHQVIMQFFOGQS-UHFFFAOYSA-N
XLogP4.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 46460934
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]propanamide
CID 97070859
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554766
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 94028872
N-[(2S)-1-aminopropan-2-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 120509148
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 55843868) is N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is COc1cc(C(C)NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)ccc1OC1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is DBHQVIMQFFOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-17-9-11-22(15-18(17)2)33(29,30)26-14-13-25(28)27-19(3)20-10-12-23(24(16-20)31-4)32-21-7-5-6-8-21/h9-12,15-16,19,21,26H,5-8,13-14H2,1-4H3,(H,27,28).
What are the key properties of N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 474.62 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55843868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).