N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide

C26H29N3O5S — CID 26852039

IUPACN-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(=O)c3cccc(C)c3)ccc2C)cc1
InChIInChI=1S/C26H29N3O5S/c1-4-34-23-12-10-21(11-13-23)29-35(32,33)24-17-22(9-8-19(24)3)28-25(30)14-15-27-26(31)20-7-5-6-18(2)16-20/h5-13,16-17,29H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyPJPNMPXXPPJPAB-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.26
Rot. Bonds10

About N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide

N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide (PubChem CID 26852039) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
PubChem CID26852039
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(=O)c3cccc(C)c3)ccc2C)cc1
InChIInChI=1S/C26H29N3O5S/c1-4-34-23-12-10-21(11-13-23)29-35(32,33)24-17-22(9-8-19(24)3)28-25(30)14-15-27-26(31)20-7-5-6-18(2)16-20/h5-13,16-17,29H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyPJPNMPXXPPJPAB-UHFFFAOYSA-N
XLogP4.26
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide (CID 26852039) is N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(=O)c3cccc(C)c3)ccc2C)cc1.
What is the InChIKey of N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide?
The InChIKey is PJPNMPXXPPJPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-4-34-23-12-10-21(11-13-23)29-35(32,33)24-17-22(9-8-19(24)3)28-25(30)14-15-27-26(31)20-7-5-6-18(2)16-20/h5-13,16-17,29H,4,14-15H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide?
N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide has a molecular weight of 495.60 g/mol, XLogP of 4.26, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 26852039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).