4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

C26H32N2O7S3 — CID 1176692

IUPAC4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CN(Cc2cccs2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C26H32N2O7S3/c1-33-24-16-20(17-25(34-2)26(24)35-3)18-28(19-21-8-7-15-36-21)38(31,32)23-11-9-22(10-12-23)37(29,30)27-13-5-4-6-14-27/h7-12,15-17H,4-6,13-14,18-19H2,1-3H3
InChIKeyHPXTZPQIZPDTLR-UHFFFAOYSA-N
MW580.75 g/mol
LogP4.34
Rot. Bonds11

About 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide

4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 1176692) has the molecular formula C26H32N2O7S3 and a molecular weight of 580.75 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID1176692
Molecular FormulaC26H32N2O7S3
Molecular Weight580.75 g/mol
Exact Mass580.14
IUPAC Name4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CN(Cc2cccs2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C26H32N2O7S3/c1-33-24-16-20(17-25(34-2)26(24)35-3)18-28(19-21-8-7-15-36-21)38(31,32)23-11-9-22(10-12-23)37(29,30)27-13-5-4-6-14-27/h7-12,15-17H,4-6,13-14,18-19H2,1-3H3
InChIKeyHPXTZPQIZPDTLR-UHFFFAOYSA-N
XLogP4.34
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.75
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55559916
N-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1176690
1-N-[(1R,2S)-2-methylcyclohexyl]-4-N-(thiophen-2-ylmethyl)-4-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 98112564
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
N-[(2-chlorophenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 98124219
1-N-cyclohexyl-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-methyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1168573
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1428959
N-[(2-methoxyphenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 137429556
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (CID 1176692) is 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is COc1cc(CN(Cc2cccs2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is HPXTZPQIZPDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7S3/c1-33-24-16-20(17-25(34-2)26(24)35-3)18-28(19-21-8-7-15-36-21)38(31,32)23-11-9-22(10-12-23)37(29,30)27-13-5-4-6-14-27/h7-12,15-17H,4-6,13-14,18-19H2,1-3H3.
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 580.75 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 1176692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).