4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide

C14H23N3O3S — CID 120830963

IUPAC4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)NCC(C)NC)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-21(19,20)17-10-12-5-7-13(8-6-12)14(18)16-9-11(2)15-3/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyIWVILCMUTJOOGG-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.46
Rot. Bonds8

About 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide

4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide (PubChem CID 120830963) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
PubChem CID120830963
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)NCC(C)NC)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-21(19,20)17-10-12-5-7-13(8-6-12)14(18)16-9-11(2)15-3/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyIWVILCMUTJOOGG-UHFFFAOYSA-N
XLogP0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
CID 120828537
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
CID 119587508
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
4-[[[(2R)-1-(ethylsulfonylamino)propan-2-yl]amino]methyl]benzoic acid
CID 125447770
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
CID 120829950
2-(4-ethylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120832655
2-[cyclopropyl-[4-[(ethylsulfonylamino)methyl]benzoyl]amino]propanoic acid
CID 119203043
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707

Frequently Asked Questions

What is the IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide (CID 120830963) is 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide is CCS(=O)(=O)NCc1ccc(C(=O)NCC(C)NC)cc1.
What is the InChIKey of 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide?
The InChIKey is IWVILCMUTJOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-21(19,20)17-10-12-5-7-13(8-6-12)14(18)16-9-11(2)15-3/h5-8,11,15,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide?
4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide has a molecular weight of 313.42 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120830963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).