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

C13H21N3O3S — CID 63210748

IUPAC4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NCCNS(C)(=O)=O)cc1C
InChIInChI=1S/C13H21N3O3S/c1-4-14-12-6-5-11(9-10(12)2)13(17)15-7-8-16-20(3,18)19/h5-6,9,14,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyOGGKGEZSIDMWHJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.71
Rot. Bonds7

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

4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide (PubChem CID 63210748) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
PubChem CID63210748
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NCCNS(C)(=O)=O)cc1C
InChIInChI=1S/C13H21N3O3S/c1-4-14-12-6-5-11(9-10(12)2)13(17)15-7-8-16-20(3,18)19/h5-6,9,14,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyOGGKGEZSIDMWHJ-UHFFFAOYSA-N
XLogP0.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79558034
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
3-amino-4-bromo-N-[2-(methanesulfonamido)ethyl]benzamide
CID 61094438
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide?
The IUPAC name of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide (CID 63210748) is 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide is CCNc1ccc(C(=O)NCCNS(C)(=O)=O)cc1C.
What is the InChIKey of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide?
The InChIKey is OGGKGEZSIDMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-14-12-6-5-11(9-10(12)2)13(17)15-7-8-16-20(3,18)19/h5-6,9,14,16H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide?
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide has a molecular weight of 299.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide is sourced from PubChem (CID 63210748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).