N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide

C18H21N3O5S — CID 33430214

IUPACN-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-26-15-7-9-16(10-8-15)27(24,25)21-12-11-19-17(22)13-20-18(23)14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyVDKOUVSRFXZIRM-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.52
Rot. Bonds9

About N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide

N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 33430214) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
PubChem CID33430214
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-26-15-7-9-16(10-8-15)27(24,25)21-12-11-19-17(22)13-20-18(23)14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyVDKOUVSRFXZIRM-UHFFFAOYSA-N
XLogP0.52
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[1-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 43050505
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 33435266
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide (CID 33430214) is N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide is COc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is VDKOUVSRFXZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-26-15-7-9-16(10-8-15)27(24,25)21-12-11-19-17(22)13-20-18(23)14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 0.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 33430214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).