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

C23H29N3O4S — CID 170170145

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide
SMILESCc1cccc(C2CCCCCC2)c1OC1(C(=O)NS(=O)(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C23H29N3O4S/c1-16-8-6-11-18(17-9-4-2-3-5-10-17)21(16)30-23(14-15-23)22(27)26-31(28,29)20-13-7-12-19(24)25-20/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3,(H2,24,25)(H,26,27)
InChIKeyRKZNQUXLQKBFKZ-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.83
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide (PubChem CID 170170145) 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-6-methylphenoxy)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide
PubChem CID170170145
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide
SMILESCc1cccc(C2CCCCCC2)c1OC1(C(=O)NS(=O)(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C23H29N3O4S/c1-16-8-6-11-18(17-9-4-2-3-5-10-17)21(16)30-23(14-15-23)22(27)26-31(28,29)20-13-7-12-19(24)25-20/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3,(H2,24,25)(H,26,27)
InChIKeyRKZNQUXLQKBFKZ-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

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

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Related Compounds

1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 166963684
1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 154940949
1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 156782018
6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 170170511
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781886
1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 166963577
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 162713327
N-[(6-amino-2-pyridinyl)sulfonyl]-6-cyclopentyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121253671
1-(2-cyclopropyl-5-methylphenoxy)-N-[[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782087
1-(5-chloro-2-spiro[3.3]heptan-2-ylphenoxy)-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781898
1-[5-chloro-2-(3,5-dimethylpiperidin-1-yl)phenoxy]-N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 166963560
2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-cyclohexyl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]ethanone
CID 157215392

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide (CID 170170145) is N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide is Cc1cccc(C2CCCCCC2)c1OC1(C(=O)NS(=O)(=O)c2cccc(N)n2)CC1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide?
The InChIKey is RKZNQUXLQKBFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-8-6-11-18(17-9-4-2-3-5-10-17)21(16)30-23(14-15-23)22(27)26-31(28,29)20-13-7-12-19(24)25-20/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3,(H2,24,25)(H,26,27).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-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-6-methylphenoxy)cyclopropane-1-carboxamide is sourced from PubChem (CID 170170145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).