N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide

C19H27N3O4S — CID 127392421

IUPACN-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCC(=O)N1CC(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C1
InChIInChI=1S/C19H27N3O4S/c1-14(23)22-12-16(13-22)20-19(24)15-7-6-10-18(11-15)27(25,26)21(2)17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-13H2,1-2H3,(H,20,24)
InChIKeyLHXBMFQFPGHTGS-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.60
Rot. Bonds5

About N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide

N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 127392421) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID127392421
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCC(=O)N1CC(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C1
InChIInChI=1S/C19H27N3O4S/c1-14(23)22-12-16(13-22)20-19(24)15-7-6-10-18(11-15)27(25,26)21(2)17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-13H2,1-2H3,(H,20,24)
InChIKeyLHXBMFQFPGHTGS-UHFFFAOYSA-N
XLogP1.60
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120598273
N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
CID 97194696
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 40972763
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
(2S,3S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 25489125
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
CID 120687513
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 43008206
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 127392421) is N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide is CC(=O)N1CC(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)C1.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is LHXBMFQFPGHTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14(23)22-12-16(13-22)20-19(24)15-7-6-10-18(11-15)27(25,26)21(2)17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 127392421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).