N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide

C12H19N3O3S — CID 120828537

IUPACN-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
SMILESCNC(C)CNC(=O)c1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(14-2)7-15-12(16)11-5-3-10(4-6-11)8-19(13,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)(H2,13,17,18)
InChIKeyVPSFIVDNSQBHTD-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.19
Rot. Bonds6

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

N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide (PubChem CID 120828537) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
PubChem CID120828537
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
SMILESCNC(C)CNC(=O)c1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(14-2)7-15-12(16)11-5-3-10(4-6-11)8-19(13,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)(H2,13,17,18)
InChIKeyVPSFIVDNSQBHTD-UHFFFAOYSA-N
XLogP-0.19
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(ethylsulfonylamino)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120830963
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830337
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide (CID 120828537) is N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide is CNC(C)CNC(=O)c1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide?
The InChIKey is VPSFIVDNSQBHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(14-2)7-15-12(16)11-5-3-10(4-6-11)8-19(13,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)(H2,13,17,18).
What are the key properties of N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide?
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide has a molecular weight of 285.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide is sourced from PubChem (CID 120828537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).