N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide

C18H28N2O5S — CID 30148805

IUPACN-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C18H28N2O5S/c1-5-20(26(4,22)23)15-12-17(25-3)16(24-2)11-14(15)18(21)19-13-9-7-6-8-10-13/h11-13H,5-10H2,1-4H3,(H,19,21)
InChIKeyILGWSUXARIJODI-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.55
Rot. Bonds7

About N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide

N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30148805) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
PubChem CID30148805
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C18H28N2O5S/c1-5-20(26(4,22)23)15-12-17(25-3)16(24-2)11-14(15)18(21)19-13-9-7-6-8-10-13/h11-13H,5-10H2,1-4H3,(H,19,21)
InChIKeyILGWSUXARIJODI-UHFFFAOYSA-N
XLogP2.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-cyclopentyl-4,5-dimethoxybenzamide
CID 30151370
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 30148750
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
2-[ethyl(methylsulfonyl)amino]-N-(5-fluoro-2-methylphenyl)-4,5-dimethoxybenzamide
CID 30149643
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149563
N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149167
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148952
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149538
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (CID 30148805) is N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is CCN(c1cc(OC)c(OC)cc1C(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is ILGWSUXARIJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-5-20(26(4,22)23)15-12-17(25-3)16(24-2)11-14(15)18(21)19-13-9-7-6-8-10-13/h11-13H,5-10H2,1-4H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 384.50 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30148805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).