methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate

C17H20N2O5S3 — CID 24643102

IUPACmethyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C17H20N2O5S3/c1-11-5-6-14(26-11)27(22,23)19-8-3-4-12(10-19)16(20)18-13-7-9-25-15(13)17(21)24-2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,18,20)
InChIKeyWXCGFSZGJXQGIY-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.94
Rot. Bonds5

About methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 24643102) has the molecular formula C17H20N2O5S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID24643102
Molecular FormulaC17H20N2O5S3
Molecular Weight428.56 g/mol
Exact Mass428.05
IUPAC Namemethyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C17H20N2O5S3/c1-11-5-6-14(26-11)27(22,23)19-8-3-4-12(10-19)16(20)18-13-7-9-25-15(13)17(21)24-2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,18,20)
InChIKeyWXCGFSZGJXQGIY-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 55526772
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 43063580
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643295
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43073783
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55797970

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate (CID 24643102) is methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is WXCGFSZGJXQGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S3/c1-11-5-6-14(26-11)27(22,23)19-8-3-4-12(10-19)16(20)18-13-7-9-25-15(13)17(21)24-2/h5-7,9,12H,3-4,8,10H2,1-2H3,(H,18,20).
What are the key properties of methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 428.56 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24643102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).