N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide

C20H24N4O5S — CID 31417859

IUPACN-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O5S/c1-29-18-10-9-16(30(27,28)24-15-7-8-15)11-17(18)21-13-19(25)23-20(26)22-12-14-5-3-2-4-6-14/h2-6,9-11,15,21,24H,7-8,12-13H2,1H3,(H2,22,23,25,26)
InChIKeyRHAZDQRZRPDPLH-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.57
Rot. Bonds9

About N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide

N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide (PubChem CID 31417859) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
PubChem CID31417859
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O5S/c1-29-18-10-9-16(30(27,28)24-15-7-8-15)11-17(18)21-13-19(25)23-20(26)22-12-14-5-3-2-4-6-14/h2-6,9-11,15,21,24H,7-8,12-13H2,1H3,(H2,22,23,25,26)
InChIKeyRHAZDQRZRPDPLH-UHFFFAOYSA-N
XLogP1.57
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46625737

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide (CID 31417859) is N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The InChIKey is RHAZDQRZRPDPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-29-18-10-9-16(30(27,28)24-15-7-8-15)11-17(18)21-13-19(25)23-20(26)22-12-14-5-3-2-4-6-14/h2-6,9-11,15,21,24H,7-8,12-13H2,1H3,(H2,22,23,25,26).
What are the key properties of N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide has a molecular weight of 432.50 g/mol, XLogP of 1.57, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide is sourced from PubChem (CID 31417859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).