N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C19H25N3O4S — CID 119507136

IUPACN-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCNCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H25N3O4S/c1-4-20-11-12-21-19(23)15-6-5-14(2)18(13-15)27(24,25)22-16-7-9-17(26-3)10-8-16/h5-10,13,20,22H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyRCDTXESBHZRZLR-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.14
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 119507136) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID119507136
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCNCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H25N3O4S/c1-4-20-11-12-21-19(23)15-6-5-14(2)18(13-15)27(24,25)22-16-7-9-17(26-3)10-8-16/h5-10,13,20,22H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyRCDTXESBHZRZLR-UHFFFAOYSA-N
XLogP2.14
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.14
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-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 9068373
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 119507136) is N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is CCNCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is RCDTXESBHZRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-20-11-12-21-19(23)15-6-5-14(2)18(13-15)27(24,25)22-16-7-9-17(26-3)10-8-16/h5-10,13,20,22H,4,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 391.49 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 119507136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).