N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide

C20H24N2O4S — CID 9214466

IUPACN-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)21-14-15-10-12-16(13-11-15)20(23)22-17-6-2-3-7-17/h4-5,8-13,17,21H,2-3,6-7,14H2,1H3,(H,22,23)
InChIKeyMRJJAKOYZNFMPS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.85
Rot. Bonds7

About N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide

N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide (PubChem CID 9214466) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
PubChem CID9214466
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)21-14-15-10-12-16(13-11-15)20(23)22-17-6-2-3-7-17/h4-5,8-13,17,21H,2-3,6-7,14H2,1H3,(H,22,23)
InChIKeyMRJJAKOYZNFMPS-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide (CID 9214466) is N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide is COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is MRJJAKOYZNFMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-8-4-5-9-19(18)27(24,25)21-14-15-10-12-16(13-11-15)20(23)22-17-6-2-3-7-17/h4-5,8-13,17,21H,2-3,6-7,14H2,1H3,(H,22,23).
What are the key properties of N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide?
N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 9214466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).