(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C20H26N2O4S2 — CID 38011691

IUPAC(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-26-18-10-8-16(9-11-18)5-2-12-21-20(23)17-6-3-13-22(15-17)28(24,25)19-7-4-14-27-19/h4,7-11,14,17H,2-3,5-6,12-13,15H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyNFZGUWDUMLIWTM-QGZVFWFLSA-N
MW422.57 g/mol
LogP2.91
Rot. Bonds8

About (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 38011691) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID38011691
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-26-18-10-8-16(9-11-18)5-2-12-21-20(23)17-6-3-13-22(15-17)28(24,25)19-7-4-14-27-19/h4,7-11,14,17H,2-3,5-6,12-13,15H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyNFZGUWDUMLIWTM-QGZVFWFLSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3R)-N-[2-(3-methoxyphenoxy)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94111152
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
(3R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875459
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 8547879

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 38011691) is (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is NFZGUWDUMLIWTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-26-18-10-8-16(9-11-18)5-2-12-21-20(23)17-6-3-13-22(15-17)28(24,25)19-7-4-14-27-19/h4,7-11,14,17H,2-3,5-6,12-13,15H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(4-methoxyphenyl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 38011691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).