2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate

C16H22NO6S- — CID 7414153

IUPAC2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)cc1OC
InChIInChI=1S/C16H23NO6S/c1-22-14-9-8-13(10-15(14)23-2)24(20,21)17(11-16(18)19)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)/p-1
InChIKeyCVOPIVIDCVVLTL-UHFFFAOYSA-M
MW356.42 g/mol
LogP0.78
Rot. Bonds7

About 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate (PubChem CID 7414153) has the molecular formula C16H22NO6S- and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
PubChem CID7414153
Molecular FormulaC16H22NO6S-
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)cc1OC
InChIInChI=1S/C16H23NO6S/c1-22-14-9-8-13(10-15(14)23-2)24(20,21)17(11-16(18)19)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)/p-1
InChIKeyCVOPIVIDCVVLTL-UHFFFAOYSA-M
XLogP0.78
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
N-cycloheptyl-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788557
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 126010831
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544345
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126010855
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate (CID 7414153) is 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate is COc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)cc1OC.
What is the InChIKey of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The InChIKey is CVOPIVIDCVVLTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23NO6S/c1-22-14-9-8-13(10-15(14)23-2)24(20,21)17(11-16(18)19)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate?
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate has a molecular weight of 356.42 g/mol, XLogP of 0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 7414153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).