N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C21H26N2O4S — CID 4574357

IUPACN-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-11-16(2)13-18(12-15)23-28(25,26)20-9-7-19(8-10-20)27-14-21(24)22-17-5-3-4-6-17/h7-13,17,23H,3-6,14H2,1-2H3,(H,22,24)
InChIKeyNEONUXLPVUNXNV-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.54
Rot. Bonds7

About N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 4574357) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID4574357
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-15-11-16(2)13-18(12-15)23-28(25,26)20-9-7-19(8-10-20)27-14-21(24)22-17-5-3-4-6-17/h7-13,17,23H,3-6,14H2,1-2H3,(H,22,24)
InChIKeyNEONUXLPVUNXNV-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 4574357) is N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1.
What is the InChIKey of N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is NEONUXLPVUNXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-11-16(2)13-18(12-15)23-28(25,26)20-9-7-19(8-10-20)27-14-21(24)22-17-5-3-4-6-17/h7-13,17,23H,3-6,14H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 4574357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).