N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide

C23H29N3O4S — CID 156782008

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-16-11-12-18(17-7-4-2-3-5-8-17)19(15-16)30-23(13-14-23)22(27)26-31(28,29)21-10-6-9-20(24)25-21/h6,9-12,15,17H,2-5,7-8,13-14H2,1H3,(H2,24,25)(H,26,27)
InChIKeyCWAIIUKGENXYFV-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.83
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide (PubChem CID 156782008) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide
PubChem CID156782008
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-16-11-12-18(17-7-4-2-3-5-8-17)19(15-16)30-23(13-14-23)22(27)26-31(28,29)21-10-6-9-20(24)25-21/h6,9-12,15,17H,2-5,7-8,13-14H2,1H3,(H2,24,25)(H,26,27)
InChIKeyCWAIIUKGENXYFV-UHFFFAOYSA-N
XLogP3.83
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
CID 154940887
N-[[6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxamide
CID 162713296
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(3S)-3-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 162713298
N-[(6-amino-2-pyridyl)sulfonyl]-2,3-difluoro-4-(3-fluoro-5-isobutoxy-phenyl)benzamide
CID 121251564
[1-[6-[[1-(2-Cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-(fluoromethyl)piperidin-4-yl] carbamate
CID 154940866
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide
CID 154940870
1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide
CID 154940879
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide
CID 154940883
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
CID 154940885
1-[2-(4,4-difluorocyclohexyl)-5-methylphenoxy]-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 154940896
1-[2-(4,4-difluorocyclohexyl)-5-methylphenoxy]-N-[[6-(2-hydroxypropylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 154940897
N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
CID 154940898

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide (CID 156782008) is N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide is Cc1ccc(C2CCCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CC2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide?
The InChIKey is CWAIIUKGENXYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-11-12-18(17-7-4-2-3-5-8-17)19(15-16)30-23(13-14-23)22(27)26-31(28,29)21-10-6-9-20(24)25-21/h6,9-12,15,17H,2-5,7-8,13-14H2,1H3,(H2,24,25)(H,26,27).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-5-methylphenoxy)cyclopropane-1-carboxamide is sourced from PubChem (CID 156782008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).