2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C20H30N2O4S — CID 3149543

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)C2CCCCC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-16-9-11-19(12-10-16)27(24,25)22(17-6-3-2-4-7-17)15-20(23)21-14-18-8-5-13-26-18/h9-12,17-18H,2-8,13-15H2,1H3,(H,21,23)
InChIKeySFTORBZLLCWFMY-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.61
Rot. Bonds7

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3149543) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3149543
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)C2CCCCC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-16-9-11-19(12-10-16)27(24,25)22(17-6-3-2-4-7-17)15-20(23)21-14-18-8-5-13-26-18/h9-12,17-18H,2-8,13-15H2,1H3,(H,21,23)
InChIKeySFTORBZLLCWFMY-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
2-[[2-(4-Fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-pentanoic acid cyclohexylamide
CID 649739
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2956531
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2963958
N-(2-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206899
N-(4-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206901
N-Cyclopentyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 3207003
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3149543) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SFTORBZLLCWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-16-9-11-19(12-10-16)27(24,25)22(17-6-3-2-4-7-17)15-20(23)21-14-18-8-5-13-26-18/h9-12,17-18H,2-8,13-15H2,1H3,(H,21,23).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 394.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3149543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).