N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide

C26H27N3O5S — CID 27447560

IUPACN-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1
InChIInChI=1S/C26H27N3O5S/c1-18-6-14-24(15-7-18)35(32,33)29(2)22-10-12-23(13-11-22)34-17-25(30)27-21-5-3-4-19(16-21)26(31)28-20-8-9-20/h3-7,10-16,20H,8-9,17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDLRUXPJQDDQZSH-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.73
Rot. Bonds9

About N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide (PubChem CID 27447560) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide
PubChem CID27447560
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1
InChIInChI=1S/C26H27N3O5S/c1-18-6-14-24(15-7-18)35(32,33)29(2)22-10-12-23(13-11-22)34-17-25(30)27-21-5-3-4-19(16-21)26(31)28-20-8-9-20/h3-7,10-16,20H,8-9,17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDLRUXPJQDDQZSH-UHFFFAOYSA-N
XLogP3.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228
N-(3-acetamidophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247359
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide (CID 27447560) is N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide?
The InChIKey is DLRUXPJQDDQZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-18-6-14-24(15-7-18)35(32,33)29(2)22-10-12-23(13-11-22)34-17-25(30)27-21-5-3-4-19(16-21)26(31)28-20-8-9-20/h3-7,10-16,20H,8-9,17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 27447560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).