N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C26H29N3O5S — CID 55859267

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(OC4CCCC4)nc3)c2)cc1
InChIInChI=1S/C26H29N3O5S/c1-18-7-13-23(35(31,32)29-20-9-11-21(33-2)12-10-20)15-24(18)26(30)28-17-19-8-14-25(27-16-19)34-22-5-3-4-6-22/h7-16,22,29H,3-6,17H2,1-2H3,(H,28,30)
InChIKeyVVTCZHKWMJTXHP-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.45
Rot. Bonds9

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55859267) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55859267
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(OC4CCCC4)nc3)c2)cc1
InChIInChI=1S/C26H29N3O5S/c1-18-7-13-23(35(31,32)29-20-9-11-21(33-2)12-10-20)15-24(18)26(30)28-17-19-8-14-25(27-16-19)34-22-5-3-4-6-22/h7-16,22,29H,3-6,17H2,1-2H3,(H,28,30)
InChIKeyVVTCZHKWMJTXHP-UHFFFAOYSA-N
XLogP4.45
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55869875
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 55939369
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55859267) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccc(OC4CCCC4)nc3)c2)cc1.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is VVTCZHKWMJTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18-7-13-23(35(31,32)29-20-9-11-21(33-2)12-10-20)15-24(18)26(30)28-17-19-8-14-25(27-16-19)34-22-5-3-4-6-22/h7-16,22,29H,3-6,17H2,1-2H3,(H,28,30).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 495.60 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55859267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).