methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C20H32N4O6S2 — CID 55625981

IUPACmethyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)sc(C)c1C
InChIInChI=1S/C20H32N4O6S2/c1-13-10-24(11-14(2)30-13)32(27,28)23-8-6-22(7-9-23)12-17(25)21-19-18(20(26)29-5)15(3)16(4)31-19/h13-14H,6-12H2,1-5H3,(H,21,25)
InChIKeyUPVWWDLMMBZDBH-UHFFFAOYSA-N
MW488.63 g/mol
LogP1.06
Rot. Bonds6

About methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 55625981) has the molecular formula C20H32N4O6S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID55625981
Molecular FormulaC20H32N4O6S2
Molecular Weight488.63 g/mol
Exact Mass488.18
IUPAC Namemethyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)sc(C)c1C
InChIInChI=1S/C20H32N4O6S2/c1-13-10-24(11-14(2)30-13)32(27,28)23-8-6-22(7-9-23)12-17(25)21-19-18(20(26)29-5)15(3)16(4)31-19/h13-14H,6-12H2,1-5H3,(H,21,25)
InChIKeyUPVWWDLMMBZDBH-UHFFFAOYSA-N
XLogP1.06
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 6465207
methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2655336
methyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43981326
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 55600995
methyl 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55552889
methyl 2-[[2-(3,5-dimethylpiperidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 22197992
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate;oxalic acid
CID 45042437
methyl 2-[3-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 4244442
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
methyl 5-carbamoyl-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17375378
4-O-ethyl 2-O-prop-2-enyl 5-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 8014481
methyl 2-[[2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 60510846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 55625981) is methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is UPVWWDLMMBZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O6S2/c1-13-10-24(11-14(2)30-13)32(27,28)23-8-6-22(7-9-23)12-17(25)21-19-18(20(26)29-5)15(3)16(4)31-19/h13-14H,6-12H2,1-5H3,(H,21,25).
What are the key properties of methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 488.63 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 55625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).