N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide

C25H26N4O4S — CID 56929064

IUPACN-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C25H26N4O4S/c30-24(28-20-7-1-2-8-20)19-6-3-9-23(15-19)34(32,33)22-12-10-21(11-13-22)29-25(31)27-17-18-5-4-14-26-16-18/h3-6,9-16,20H,1-2,7-8,17H2,(H,28,30)(H2,27,29,31)
InChIKeyWZQOWIDEKPESIP-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.91
Rot. Bonds7

About N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide

N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide (PubChem CID 56929064) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
PubChem CID56929064
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C25H26N4O4S/c30-24(28-20-7-1-2-8-20)19-6-3-9-23(15-19)34(32,33)22-12-10-21(11-13-22)29-25(31)27-17-18-5-4-14-26-16-18/h3-6,9-16,20H,1-2,7-8,17H2,(H,28,30)(H2,27,29,31)
InChIKeyWZQOWIDEKPESIP-UHFFFAOYSA-N
XLogP3.91
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 66610154
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
1-[4-(3-acetylphenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610364
N-(2-methylpropyl)-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 66610835
N-cyclopentyl-3-[4-(3-pyridin-3-ylprop-2-enoylamino)phenyl]sulfonylbenzamide
CID 70978965
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
1-[4-(3,5-dichlorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610083
1-[4-(3,4-dimethylphenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea;formamide
CID 174859063
1-[4-(2,3-dimethylcyclohexyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 140618935
1-[4-[cyclohexylmethyl(fluoro)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 87075137
1-[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610981
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
The IUPAC name of N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide (CID 56929064) is N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
The InChIKey is WZQOWIDEKPESIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c30-24(28-20-7-1-2-8-20)19-6-3-9-23(15-19)34(32,33)22-12-10-21(11-13-22)29-25(31)27-17-18-5-4-14-26-16-18/h3-6,9-16,20H,1-2,7-8,17H2,(H,28,30)(H2,27,29,31).
What are the key properties of N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide?
N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide has a molecular weight of 478.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide is sourced from PubChem (CID 56929064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).