methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate

C16H24N2O6S — CID 18532455

IUPACmethyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
SMILESCCC(C)C(NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1)C(=O)OC
InChIInChI=1S/C16H24N2O6S/c1-6-10(2)15(16(20)24-5)18-25(21,22)12-7-8-13(17-11(3)19)14(9-12)23-4/h7-10,15,18H,6H2,1-5H3,(H,17,19)
InChIKeyRYIKXNLRIGOHKD-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.52
Rot. Bonds8

About methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate

methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate (PubChem CID 18532455) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
PubChem CID18532455
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Namemethyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
SMILESCCC(C)C(NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1)C(=O)OC
InChIInChI=1S/C16H24N2O6S/c1-6-10(2)15(16(20)24-5)18-25(21,22)12-7-8-13(17-11(3)19)14(9-12)23-4/h7-10,15,18H,6H2,1-5H3,(H,17,19)
InChIKeyRYIKXNLRIGOHKD-UHFFFAOYSA-N
XLogP1.52
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate with MolForge

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Related Compounds

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189598
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate (CID 18532455) is methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate is CCC(C)C(NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate?
The InChIKey is RYIKXNLRIGOHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-6-10(2)15(16(20)24-5)18-25(21,22)12-7-8-13(17-11(3)19)14(9-12)23-4/h7-10,15,18H,6H2,1-5H3,(H,17,19).
What are the key properties of methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate?
methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate has a molecular weight of 372.44 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate is sourced from PubChem (CID 18532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).