4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide

C23H31N3O3S — CID 41213174

IUPAC4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)CC1
InChIInChI=1S/C23H31N3O3S/c1-3-5-6-17-7-9-19(10-8-17)23(27)24-20-13-11-18(12-14-20)21-15-16-22(26-25-21)30(28,29)4-2/h11-17,19H,3-10H2,1-2H3,(H,24,27)
InChIKeyRKVBYBCOECLSJX-UHFFFAOYSA-N
MW429.59 g/mol
LogP4.87
Rot. Bonds8

About 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide

4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 41213174) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID41213174
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)CC1
InChIInChI=1S/C23H31N3O3S/c1-3-5-6-17-7-9-19(10-8-17)23(27)24-20-13-11-18(12-14-20)21-15-16-22(26-25-21)30(28,29)4-2/h11-17,19H,3-10H2,1-2H3,(H,24,27)
InChIKeyRKVBYBCOECLSJX-UHFFFAOYSA-N
XLogP4.87
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
CID 18567835
3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 18567874
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41159990

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide (CID 41213174) is 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)CC1.
What is the InChIKey of 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is RKVBYBCOECLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-5-6-17-7-9-19(10-8-17)23(27)24-20-13-11-18(12-14-20)21-15-16-22(26-25-21)30(28,29)4-2/h11-17,19H,3-10H2,1-2H3,(H,24,27).
What are the key properties of 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide?
4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 41213174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).