N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C17H22N2O4S2 — CID 43051837

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C17H22N2O4S2/c1-13-6-7-14(23-13)12-18(2)17(20)16-15(8-11-24-16)25(21,22)19-9-4-3-5-10-19/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyFSXXDMHJNUVLGZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 43051837) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID43051837
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C17H22N2O4S2/c1-13-6-7-14(23-13)12-18(2)17(20)16-15(8-11-24-16)25(21,22)19-9-4-3-5-10-19/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyFSXXDMHJNUVLGZ-UHFFFAOYSA-N
XLogP3.10
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55549165
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27780624
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119068920
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246200
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 43051837) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is Cc1ccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is FSXXDMHJNUVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-13-6-7-14(23-13)12-18(2)17(20)16-15(8-11-24-16)25(21,22)19-9-4-3-5-10-19/h6-8,11H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 43051837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).