2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide

C22H29Cl2NO3S — CID 69160804

IUPAC2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide
SMILESO=C(NC(CC1CC1)C1CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H29Cl2NO3S/c23-17-7-10-19(20(24)12-17)22(26)25-21(11-14-1-2-14)16-5-8-18(9-6-16)29(27,28)13-15-3-4-15/h7,10,12,14-16,18,21H,1-6,8-9,11,13H2,(H,25,26)
InChIKeyWHOPFSUGGCRGJD-UHFFFAOYSA-N
MW458.45 g/mol
LogP5.28
Rot. Bonds8

About 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide

2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide (PubChem CID 69160804) has the molecular formula C22H29Cl2NO3S and a molecular weight of 458.45 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide
PubChem CID69160804
Molecular FormulaC22H29Cl2NO3S
Molecular Weight458.45 g/mol
Exact Mass457.12
IUPAC Name2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide
SMILESO=C(NC(CC1CC1)C1CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H29Cl2NO3S/c23-17-7-10-19(20(24)12-17)22(26)25-21(11-14-1-2-14)16-5-8-18(9-6-16)29(27,28)13-15-3-4-15/h7,10,12,14-16,18,21H,1-6,8-9,11,13H2,(H,25,26)
InChIKeyWHOPFSUGGCRGJD-UHFFFAOYSA-N
XLogP5.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4-dichlorobenzamide
CID 77038466
3-[1-[4-(cyclopropylmethylsulfonyl)piperidin-1-yl]cyclohexyl]-1-(2,4-dichlorophenyl)propan-1-one
CID 58561675
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2,4-dichloro-N-[1-[(4-ethylcyclohexyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 112816319
2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone
CID 64637120
2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide
CID 143369039
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
CID 68576201

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide (CID 69160804) is 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide is O=C(NC(CC1CC1)C1CCC(S(=O)(=O)CC2CC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide?
The InChIKey is WHOPFSUGGCRGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2NO3S/c23-17-7-10-19(20(24)12-17)22(26)25-21(11-14-1-2-14)16-5-8-18(9-6-16)29(27,28)13-15-3-4-15/h7,10,12,14-16,18,21H,1-6,8-9,11,13H2,(H,25,26).
What are the key properties of 2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide?
2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide has a molecular weight of 458.45 g/mol, XLogP of 5.28, 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-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide is sourced from PubChem (CID 69160804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).