methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate

C19H22N2O5S2 — CID 26467539

IUPACmethyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)s1
InChIInChI=1S/C19H22N2O5S2/c1-13-5-3-4-12-21(13)28(24,25)15-8-6-14(7-9-15)18(22)20-17-11-10-16(27-17)19(23)26-2/h6-11,13H,3-5,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyCJLKLGWXMWHZSC-CYBMUJFWSA-N
MW422.53 g/mol
LogP3.35
Rot. Bonds5

About methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate

methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate (PubChem CID 26467539) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate
PubChem CID26467539
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Namemethyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)s1
InChIInChI=1S/C19H22N2O5S2/c1-13-5-3-4-12-21(13)28(24,25)15-8-6-14(7-9-15)18(22)20-17-11-10-16(27-17)19(23)26-2/h6-11,13H,3-5,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyCJLKLGWXMWHZSC-CYBMUJFWSA-N
XLogP3.35
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
methyl 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4127110
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7164097
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41066616
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8701103
ethyl 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23742056

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate (CID 26467539) is methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)s1.
What is the InChIKey of methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate?
The InChIKey is CJLKLGWXMWHZSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-13-5-3-4-12-21(13)28(24,25)15-8-6-14(7-9-15)18(22)20-17-11-10-16(27-17)19(23)26-2/h6-11,13H,3-5,12H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate?
methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 26467539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).