N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide

C20H28N4O4S — CID 39998729

IUPACN-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C20H28N4O4S/c1-28-18-9-8-16(29(26,27)24-15-6-7-15)12-17(18)22-13-19(25)23-20(14-21)10-4-2-3-5-11-20/h8-9,12,15,22,24H,2-7,10-11,13H2,1H3,(H,23,25)
InChIKeyWFBJSSNOHUZYMG-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.28
Rot. Bonds8

About N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide

N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide (PubChem CID 39998729) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
PubChem CID39998729
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C20H28N4O4S/c1-28-18-9-8-16(29(26,27)24-15-6-7-15)12-17(18)22-13-19(25)23-20(14-21)10-4-2-3-5-11-20/h8-9,12,15,22,24H,2-7,10-11,13H2,1H3,(H,23,25)
InChIKeyWFBJSSNOHUZYMG-UHFFFAOYSA-N
XLogP2.28
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(1-cyanocyclohexyl)acetamide
CID 43016000
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802
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
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide (CID 39998729) is N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
The InChIKey is WFBJSSNOHUZYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-28-18-9-8-16(29(26,27)24-15-6-7-15)12-17(18)22-13-19(25)23-20(14-21)10-4-2-3-5-11-20/h8-9,12,15,22,24H,2-7,10-11,13H2,1H3,(H,23,25).
What are the key properties of N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide?
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide has a molecular weight of 420.54 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide is sourced from PubChem (CID 39998729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).