1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide

C23H28ClN3O4S — CID 166963684

IUPAC1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
SMILESCN(C)c1cccc(S(=O)(=O)NC(=O)C2(Oc3cc(Cl)ccc3C3CCCCC3)CC2)n1
InChIInChI=1S/C23H28ClN3O4S/c1-27(2)20-9-6-10-21(25-20)32(29,30)26-22(28)23(13-14-23)31-19-15-17(24)11-12-18(19)16-7-4-3-5-8-16/h6,9-12,15-16H,3-5,7-8,13-14H2,1-2H3,(H,26,28)
InChIKeyGOZUUNQXBARZKY-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.27
Rot. Bonds7

About 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide

1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide (PubChem CID 166963684) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
PubChem CID166963684
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
SMILESCN(C)c1cccc(S(=O)(=O)NC(=O)C2(Oc3cc(Cl)ccc3C3CCCCC3)CC2)n1
InChIInChI=1S/C23H28ClN3O4S/c1-27(2)20-9-6-10-21(25-20)32(29,30)26-22(28)23(13-14-23)31-19-15-17(24)11-12-18(19)16-7-4-3-5-8-16/h6,9-12,15-16H,3-5,7-8,13-14H2,1-2H3,(H,26,28)
InChIKeyGOZUUNQXBARZKY-UHFFFAOYSA-N
XLogP4.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide (CID 166963684) is 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide is CN(C)c1cccc(S(=O)(=O)NC(=O)C2(Oc3cc(Cl)ccc3C3CCCCC3)CC2)n1.
What is the InChIKey of 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is GOZUUNQXBARZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-27(2)20-9-6-10-21(25-20)32(29,30)26-22(28)23(13-14-23)31-19-15-17(24)11-12-18(19)16-7-4-3-5-8-16/h6,9-12,15-16H,3-5,7-8,13-14H2,1-2H3,(H,26,28).
What are the key properties of 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 478.01 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166963684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).