2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate

C16H22NO4S- — CID 2095447

IUPAC2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-13-8-10-15(11-9-13)22(20,21)17(12-16(18)19)14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,19)/p-1
InChIKeyPOEIYXJVTHUVKI-UHFFFAOYSA-M
MW324.42 g/mol
LogP1.46
Rot. Bonds5

About 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate

2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2095447) has the molecular formula C16H22NO4S- and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID2095447
Molecular FormulaC16H22NO4S-
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-13-8-10-15(11-9-13)22(20,21)17(12-16(18)19)14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,19)/p-1
InChIKeyPOEIYXJVTHUVKI-UHFFFAOYSA-M
XLogP1.46
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 21380372
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-cycloheptyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775957
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
CID 60800520
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30400980
N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 155937368
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 100790062
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate (CID 2095447) is 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCCC2)cc1.
What is the InChIKey of 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is POEIYXJVTHUVKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23NO4S/c1-13-8-10-15(11-9-13)22(20,21)17(12-16(18)19)14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate?
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 324.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).