N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide

C23H30N2O4S — CID 52656968

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1
InChIInChI=1S/C23H30N2O4S/c1-3-25(4-2)30(27,28)21-14-9-11-18(16-21)23(26)24-17-19-10-5-8-15-22(19)29-20-12-6-7-13-20/h5,8-11,14-16,20H,3-4,6-7,12-13,17H2,1-2H3,(H,24,26)
InChIKeyDSTOURVKMXPSAJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.97
Rot. Bonds9

About N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide

N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 52656968) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
PubChem CID52656968
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1
InChIInChI=1S/C23H30N2O4S/c1-3-25(4-2)30(27,28)21-14-9-11-18(16-21)23(26)24-17-19-10-5-8-15-22(19)29-20-12-6-7-13-20/h5,8-11,14-16,20H,3-4,6-7,12-13,17H2,1-2H3,(H,24,26)
InChIKeyDSTOURVKMXPSAJ-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
3-(diethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533714
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 46588506
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 47066182
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-sulfamoylphenyl)urea
CID 47065616
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide (CID 52656968) is N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is DSTOURVKMXPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-25(4-2)30(27,28)21-14-9-11-18(16-21)23(26)24-17-19-10-5-8-15-22(19)29-20-12-6-7-13-20/h5,8-11,14-16,20H,3-4,6-7,12-13,17H2,1-2H3,(H,24,26).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide?
N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 430.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 52656968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).