N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide

C14H21N3O4S — CID 9226973

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O4S/c1-15(2)13(18)10-17(5)14(19)11-7-6-8-12(9-11)22(20,21)16(3)4/h6-9H,10H2,1-5H3
InChIKeyLFSSOAQGZUBEFN-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.10
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide (PubChem CID 9226973) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
PubChem CID9226973
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H21N3O4S/c1-15(2)13(18)10-17(5)14(19)11-7-6-8-12(9-11)22(20,21)16(3)4/h6-9H,10H2,1-5H3
InChIKeyLFSSOAQGZUBEFN-UHFFFAOYSA-N
XLogP0.10
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227038
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975
3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 43452633
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 2504240
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43375348
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9227126

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide (CID 9226973) is N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
The InChIKey is LFSSOAQGZUBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-15(2)13(18)10-17(5)14(19)11-7-6-8-12(9-11)22(20,21)16(3)4/h6-9H,10H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 9226973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).