N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide

C27H34N2O3S — CID 46378168

IUPACN-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1
InChIInChI=1S/C27H34N2O3S/c30-26(28-23-9-3-1-2-4-10-23)27(17-18-27)22-12-14-24(15-13-22)29-33(31,32)25-16-11-20-7-5-6-8-21(20)19-25/h11-16,19,23,29H,1-10,17-18H2,(H,28,30)
InChIKeyMFUYYXGCEVTKCR-UHFFFAOYSA-N
MW466.65 g/mol
LogP5.24
Rot. Bonds6

About N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide

N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 46378168) has the molecular formula C27H34N2O3S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID46378168
Molecular FormulaC27H34N2O3S
Molecular Weight466.65 g/mol
Exact Mass466.23
IUPAC NameN-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1
InChIInChI=1S/C27H34N2O3S/c30-26(28-23-9-3-1-2-4-10-23)27(17-18-27)22-12-14-24(15-13-22)29-33(31,32)25-16-11-20-7-5-6-8-21(20)19-25/h11-16,19,23,29H,1-10,17-18H2,(H,28,30)
InChIKeyMFUYYXGCEVTKCR-UHFFFAOYSA-N
XLogP5.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 50822132
N-prop-2-enyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 50822133
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062318
N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378252
N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822402

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide (CID 46378168) is N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide is O=C(NC1CCCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1.
What is the InChIKey of N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is MFUYYXGCEVTKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3S/c30-26(28-23-9-3-1-2-4-10-23)27(17-18-27)22-12-14-24(15-13-22)29-33(31,32)25-16-11-20-7-5-6-8-21(20)19-25/h11-16,19,23,29H,1-10,17-18H2,(H,28,30).
What are the key properties of N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 466.65 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46378168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).