N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

C22H31N3O3S — CID 60591541

IUPACN-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C22H31N3O3S/c1-5-24(6-2)14-15-25(17-19-10-8-7-9-11-19)22(26)20-13-12-18(3)21(16-20)23-29(4,27)28/h7-13,16,23H,5-6,14-15,17H2,1-4H3
InChIKeyWBSNKADKHVJAKB-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.35
Rot. Bonds10

About N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 60591541) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID60591541
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C22H31N3O3S/c1-5-24(6-2)14-15-25(17-19-10-8-7-9-11-19)22(26)20-13-12-18(3)21(16-20)23-29(4,27)28/h7-13,16,23H,5-6,14-15,17H2,1-4H3
InChIKeyWBSNKADKHVJAKB-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid
CID 119955065
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388
N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 5126188
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
CID 19062402
2-benzyl-3-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119233760
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 60591541) is N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide is CCN(CC)CCN(Cc1ccccc1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is WBSNKADKHVJAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-5-24(6-2)14-15-25(17-19-10-8-7-9-11-19)22(26)20-13-12-18(3)21(16-20)23-29(4,27)28/h7-13,16,23H,5-6,14-15,17H2,1-4H3.
What are the key properties of N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 417.58 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 60591541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).