2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide

C23H31Cl2NO3S — CID 71458194

IUPAC2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CCC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H31Cl2NO3S/c24-18-6-7-20(21(25)12-18)22(27)26-15-23(13-16-4-5-16)10-8-19(9-11-23)30(28,29)14-17-2-1-3-17/h6-7,12,16-17,19H,1-5,8-11,13-15H2,(H,26,27)
InChIKeyZPVKVIHAJCETLA-UHFFFAOYSA-N
MW472.48 g/mol
LogP5.67
Rot. Bonds8

About 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide

2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide (PubChem CID 71458194) has the molecular formula C23H31Cl2NO3S and a molecular weight of 472.48 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide
PubChem CID71458194
Molecular FormulaC23H31Cl2NO3S
Molecular Weight472.48 g/mol
Exact Mass471.14
IUPAC Name2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CCC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H31Cl2NO3S/c24-18-6-7-20(21(25)12-18)22(27)26-15-23(13-16-4-5-16)10-8-19(9-11-23)30(28,29)14-17-2-1-3-17/h6-7,12,16-17,19H,1-5,8-11,13-15H2,(H,26,27)
InChIKeyZPVKVIHAJCETLA-UHFFFAOYSA-N
XLogP5.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide with MolForge

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Related Compounds

DCCCyB
CID 15951941
2,4-dichloro-N-[(1S)-1-(4-phenyl-1-propylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 11363702
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11510618
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(ethylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11604449
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide
CID 15952325
2,4-dichloro-N-[[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 117897780
2,4-dichloro-N-((4-(cyclopropanecarbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44420030
2,4-dichloro-N-[[(1R,5S)-6-(cyclopropylmethyl)-3-(cyclopropylmethylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 76328663
2,4-dichloro-N-[[(1R,5S)-6-(cyclopropylmethyl)-3-propylsulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 76332339
2,4-dichloro-N-(phenyl(1-(propylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 46935693
2,4-Dichloro-N-[phenyl[1-(propylsulfonyl)-4-piperidinyl]methyl]benzamide
CID 46938091

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide (CID 71458194) is 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CC2CC2)CCC(S(=O)(=O)CC2CCC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide?
The InChIKey is ZPVKVIHAJCETLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31Cl2NO3S/c24-18-6-7-20(21(25)12-18)22(27)26-15-23(13-16-4-5-16)10-8-19(9-11-23)30(28,29)14-17-2-1-3-17/h6-7,12,16-17,19H,1-5,8-11,13-15H2,(H,26,27).
What are the key properties of 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide?
2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide has a molecular weight of 472.48 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(cyclobutylmethylsulfonyl)-1-(cyclopropylmethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 71458194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).