3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide

C14H23N3O3S — CID 46434078

IUPAC3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-16(2)13-8-5-7-12(11-13)14(18)15-9-6-10-17(3)21(4,19)20/h5,7-8,11H,6,9-10H2,1-4H3,(H,15,18)
InChIKeyPGMFQORPSQQJOV-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.76
Rot. Bonds7

About 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide

3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide (PubChem CID 46434078) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
PubChem CID46434078
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-16(2)13-8-5-7-12(11-13)14(18)15-9-6-10-17(3)21(4,19)20/h5,7-8,11H,6,9-10H2,1-4H3,(H,15,18)
InChIKeyPGMFQORPSQQJOV-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
CID 46450279
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
CID 71989278
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide (CID 46434078) is 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide is CN(C)c1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide?
The InChIKey is PGMFQORPSQQJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16(2)13-8-5-7-12(11-13)14(18)15-9-6-10-17(3)21(4,19)20/h5,7-8,11H,6,9-10H2,1-4H3,(H,15,18).
What are the key properties of 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide?
3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide has a molecular weight of 313.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide is sourced from PubChem (CID 46434078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).