4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide

C22H29N3O5S — CID 56511941

IUPAC4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-25(16-17-6-8-18(9-7-17)21(26)24(2)3)22(27)19-10-12-20(13-11-19)31(28,29)23-14-15-30-4/h6-13,23H,5,14-16H2,1-4H3
InChIKeyGBBWCRJFQCPZSU-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.98
Rot. Bonds10

About 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511941) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56511941
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-25(16-17-6-8-18(9-7-17)21(26)24(2)3)22(27)19-10-12-20(13-11-19)31(28,29)23-14-15-30-4/h6-13,23H,5,14-16H2,1-4H3
InChIKeyGBBWCRJFQCPZSU-UHFFFAOYSA-N
XLogP1.98
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 38045289
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 35805338
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide (CID 56511941) is 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1.
What is the InChIKey of 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is GBBWCRJFQCPZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-5-25(16-17-6-8-18(9-7-17)21(26)24(2)3)22(27)19-10-12-20(13-11-19)31(28,29)23-14-15-30-4/h6-13,23H,5,14-16H2,1-4H3.
What are the key properties of 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 447.56 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).