N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide

C16H20N2O4S2 — CID 42355799

IUPACN-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1csc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)c1
InChIInChI=1S/C16H20N2O4S2/c1-12-8-15(23-11-12)24(20,21)18-6-2-4-13(10-18)9-17-16(19)14-5-3-7-22-14/h3,5,7-8,11,13H,2,4,6,9-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeySDOSZJJZHKSFLY-ZDUSSCGKSA-N
MW368.48 g/mol
LogP2.48
Rot. Bonds5

About N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide

N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 42355799) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID42355799
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1csc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)c1
InChIInChI=1S/C16H20N2O4S2/c1-12-8-15(23-11-12)24(20,21)18-6-2-4-13(10-18)9-17-16(19)14-5-3-7-22-14/h3,5,7-8,11,13H,2,4,6,9-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeySDOSZJJZHKSFLY-ZDUSSCGKSA-N
XLogP2.48
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 45244496
[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 61300187
N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55548927
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 50847857
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide (CID 42355799) is N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide is Cc1csc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)c1.
What is the InChIKey of N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is SDOSZJJZHKSFLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-12-8-15(23-11-12)24(20,21)18-6-2-4-13(10-18)9-17-16(19)14-5-3-7-22-14/h3,5,7-8,11,13H,2,4,6,9-10H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide?
N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42355799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).