N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide

C21H29N3O5S — CID 3585915

IUPACN-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C21H29N3O5S/c1-5-24(6-2)14-13-22-21(25)16-7-9-17(10-8-16)23-30(26,27)20-15-18(28-3)11-12-19(20)29-4/h7-12,15,23H,5-6,13-14H2,1-4H3,(H,22,25)
InChIKeySYAXONPLJBKVPY-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.58
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide (PubChem CID 3585915) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
PubChem CID3585915
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C21H29N3O5S/c1-5-24(6-2)14-13-22-21(25)16-7-9-17(10-8-16)23-30(26,27)20-15-18(28-3)11-12-19(20)29-4/h7-12,15,23H,5-6,13-14H2,1-4H3,(H,22,25)
InChIKeySYAXONPLJBKVPY-UHFFFAOYSA-N
XLogP2.58
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 3291122
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
3-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxybenzoate
CID 41153424
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide (CID 3585915) is N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is SYAXONPLJBKVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-5-24(6-2)14-13-22-21(25)16-7-9-17(10-8-16)23-30(26,27)20-15-18(28-3)11-12-19(20)29-4/h7-12,15,23H,5-6,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 435.55 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3585915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).