N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide

C24H28N2O4S — CID 15487895

IUPACN-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CC3(C)C)cc2)cc1
InChIInChI=1S/C24H28N2O4S/c1-23(2)13-19(23)21(27)25-15-5-9-17(10-6-15)31(29,30)18-11-7-16(8-12-18)26-22(28)20-14-24(20,3)4/h5-12,19-20H,13-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyQKSFKCBTESYXOV-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.49
Rot. Bonds6

About N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 15487895) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID15487895
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CC3(C)C)cc2)cc1
InChIInChI=1S/C24H28N2O4S/c1-23(2)13-19(23)21(27)25-15-5-9-17(10-6-15)31(29,30)18-11-7-16(8-12-18)26-22(28)20-14-24(20,3)4/h5-12,19-20H,13-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyQKSFKCBTESYXOV-UHFFFAOYSA-N
XLogP4.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 12989212
N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 166390708
N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107002039
(1S)-2,2-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 122159832
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 15487895) is N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CC3(C)C)cc2)cc1.
What is the InChIKey of N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QKSFKCBTESYXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-23(2)13-19(23)21(27)25-15-5-9-17(10-6-15)31(29,30)18-11-7-16(8-12-18)26-22(28)20-14-24(20,3)4/h5-12,19-20H,13-14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 15487895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).