N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide

C16H20N4O5S — CID 77088154

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
SMILESCc1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(=O)N(C)C)c2)on1
InChIInChI=1S/C16H20N4O5S/c1-11-7-13(25-19-11)9-18-26(23,24)14-6-4-5-12(8-14)16(22)17-10-15(21)20(2)3/h4-8,18H,9-10H2,1-3H3,(H,17,22)
InChIKeySNCAMZRYPJQAKF-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.28
Rot. Bonds7

About N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide (PubChem CID 77088154) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
PubChem CID77088154
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
SMILESCc1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(=O)N(C)C)c2)on1
InChIInChI=1S/C16H20N4O5S/c1-11-7-13(25-19-11)9-18-26(23,24)14-6-4-5-12(8-14)16(22)17-10-15(21)20(2)3/h4-8,18H,9-10H2,1-3H3,(H,17,22)
InChIKeySNCAMZRYPJQAKF-UHFFFAOYSA-N
XLogP0.28
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
CID 77089087
3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080387
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
CID 77088639
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 48731204
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731232
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
CID 97187419
3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
CID 77089537

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide (CID 77088154) is N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide is Cc1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(=O)N(C)C)c2)on1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
The InChIKey is SNCAMZRYPJQAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-11-7-13(25-19-11)9-18-26(23,24)14-6-4-5-12(8-14)16(22)17-10-15(21)20(2)3/h4-8,18H,9-10H2,1-3H3,(H,17,22).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide has a molecular weight of 380.43 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide is sourced from PubChem (CID 77088154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).