N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C21H26N2O4S2 — CID 55460831

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C2CC2)cc1
InChIInChI=1S/C21H26N2O4S2/c1-27-18-8-6-16(7-9-18)20(15-4-5-15)22-21(24)17-10-12-23(13-11-17)29(25,26)19-3-2-14-28-19/h2-3,6-9,14-15,17,20H,4-5,10-13H2,1H3,(H,22,24)
InChIKeyROQCEQGYWWOLAP-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.42
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55460831) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID55460831
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C2CC2)cc1
InChIInChI=1S/C21H26N2O4S2/c1-27-18-8-6-16(7-9-18)20(15-4-5-15)22-21(24)17-10-12-23(13-11-17)29(25,26)19-3-2-14-28-19/h2-3,6-9,14-15,17,20H,4-5,10-13H2,1H3,(H,22,24)
InChIKeyROQCEQGYWWOLAP-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)-cyclobutylmethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55916501
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27883270
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46460923
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26468180
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55661869
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 55460831) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is COc1ccc(C(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ROQCEQGYWWOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-27-18-8-6-16(7-9-18)20(15-4-5-15)22-21(24)17-10-12-23(13-11-17)29(25,26)19-3-2-14-28-19/h2-3,6-9,14-15,17,20H,4-5,10-13H2,1H3,(H,22,24).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55460831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).