N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H24N2O3S3 — CID 17462186

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1
InChIInChI=1S/C18H24N2O3S3/c1-13(2)17(15-5-3-11-24-15)19-18(21)14-7-9-20(10-8-14)26(22,23)16-6-4-12-25-16/h3-6,11-14,17H,7-10H2,1-2H3,(H,19,21)
InChIKeyWXPNYZMOGKDLPW-UHFFFAOYSA-N
MW412.60 g/mol
LogP3.72
Rot. Bonds6

About N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 17462186) has the molecular formula C18H24N2O3S3 and a molecular weight of 412.60 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID17462186
Molecular FormulaC18H24N2O3S3
Molecular Weight412.60 g/mol
Exact Mass412.09
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1
InChIInChI=1S/C18H24N2O3S3/c1-13(2)17(15-5-3-11-24-15)19-18(21)14-7-9-20(10-8-14)26(22,23)16-6-4-12-25-16/h3-6,11-14,17H,7-10H2,1-2H3,(H,19,21)
InChIKeyWXPNYZMOGKDLPW-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048
methyl 2-[4-[[(1R)-2-methyl-1-thiophen-2-ylpropyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 34085408
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26468180
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9141771
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28631738
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55460831
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27883270

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 17462186) is N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC(C)C(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is WXPNYZMOGKDLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S3/c1-13(2)17(15-5-3-11-24-15)19-18(21)14-7-9-20(10-8-14)26(22,23)16-6-4-12-25-16/h3-6,11-14,17H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 412.60 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).