methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate

C15H21NO5S — CID 58393291

IUPACmethyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H21NO5S/c1-10-7-13(20-3)8-11(2)15(10)22(18,19)16(12-5-6-12)9-14(17)21-4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyBXQVXHHYYYWDAH-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.64
Rot. Bonds6

About methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate

methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate (PubChem CID 58393291) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
PubChem CID58393291
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namemethyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H21NO5S/c1-10-7-13(20-3)8-11(2)15(10)22(18,19)16(12-5-6-12)9-14(17)21-4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyBXQVXHHYYYWDAH-UHFFFAOYSA-N
XLogP1.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 59401672
2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetic acid;ethane;methanethiol
CID 143873788
tert-butyl 2-[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]ethoxy]acetate
CID 59820154
methyl 2-amino-3-[[2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 58101721
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795184
ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate
CID 58393424
methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 3101202
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 124550969
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide
CID 58393348
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate (CID 58393291) is methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate is COC(=O)CN(C1CC1)S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is BXQVXHHYYYWDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-10-7-13(20-3)8-11(2)15(10)22(18,19)16(12-5-6-12)9-14(17)21-4/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate?
methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 327.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 58393291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).