N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C16H24N2O5S — CID 7145814

IUPACN-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1NC(C)=O
InChIInChI=1S/C16H24N2O5S/c1-11-7-5-6-8-18(11)24(20,21)16-9-13(17-12(2)19)14(22-3)10-15(16)23-4/h9-11H,5-8H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyHMBGZUOVQQJXEN-NSHDSACASA-N
MW356.44 g/mol
LogP2.23
Rot. Bonds5

About N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 7145814) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID7145814
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1NC(C)=O
InChIInChI=1S/C16H24N2O5S/c1-11-7-5-6-8-18(11)24(20,21)16-9-13(17-12(2)19)14(22-3)10-15(16)23-4/h9-11H,5-8H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyHMBGZUOVQQJXEN-NSHDSACASA-N
XLogP2.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 7145814) is N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is COc1cc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1NC(C)=O.
What is the InChIKey of N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is HMBGZUOVQQJXEN-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11-7-5-6-8-18(11)24(20,21)16-9-13(17-12(2)19)14(22-3)10-15(16)23-4/h9-11H,5-8H2,1-4H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 7145814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).