N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide

C20H25N3O4S — CID 49240371

IUPACN-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-19(24)23-16-7-9-18(10-8-16)28(25,26)22-14-15-11-12-21-20(13-15)27-17-5-3-4-6-17/h7-13,17,22H,2-6,14H2,1H3,(H,23,24)
InChIKeyODJDZOYWIUYLNL-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.23
Rot. Bonds8

About N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide

N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide (PubChem CID 49240371) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide
PubChem CID49240371
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-19(24)23-16-7-9-18(10-8-16)28(25,26)22-14-15-11-12-21-20(13-15)27-17-5-3-4-6-17/h7-13,17,22H,2-6,14H2,1H3,(H,23,24)
InChIKeyODJDZOYWIUYLNL-UHFFFAOYSA-N
XLogP3.23
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55842324
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
ethyl 1-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]piperidine-3-carboxylate
CID 47030330
1-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]pyrazole-4-sulfonamide
CID 132970219
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56582075
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 126825101
ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate
CID 51082173
N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
CID 53022532
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide (CID 49240371) is N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)cc1.
What is the InChIKey of N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide?
The InChIKey is ODJDZOYWIUYLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-19(24)23-16-7-9-18(10-8-16)28(25,26)22-14-15-11-12-21-20(13-15)27-17-5-3-4-6-17/h7-13,17,22H,2-6,14H2,1H3,(H,23,24).
What are the key properties of N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide?
N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide has a molecular weight of 403.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyclopentyloxy-4-pyridinyl)methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 49240371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).