N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide

C26H27N3O4S — CID 25194890

IUPACN-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C26H27N3O4S/c1-17-6-7-21(26(31)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(30)27-16-18-4-3-5-23(14-18)29-34(2,32)33/h3-11,14-15,22,29H,12-13,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyZTQFQKCRDJZKIB-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.86
Rot. Bonds8

About N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide (PubChem CID 25194890) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
PubChem CID25194890
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C26H27N3O4S/c1-17-6-7-21(26(31)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(30)27-16-18-4-3-5-23(14-18)29-34(2,32)33/h3-11,14-15,22,29H,12-13,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyZTQFQKCRDJZKIB-UHFFFAOYSA-N
XLogP3.86
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide (CID 25194890) is N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is ZTQFQKCRDJZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-6-7-21(26(31)28-22-12-13-22)15-24(17)19-8-10-20(11-9-19)25(30)27-16-18-4-3-5-23(14-18)29-34(2,32)33/h3-11,14-15,22,29H,12-13,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 477.59 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 25194890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).