4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C18H24N2O3S2 — CID 5306102

IUPAC4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-23-16-4-6-18(7-5-16)25(21,22)19-13-15-8-10-20(11-9-15)14-17-3-2-12-24-17/h2-7,12,15,19H,8-11,13-14H2,1H3
InChIKeyKTHSKMOQYJGRSR-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.95
Rot. Bonds7

About 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 5306102) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID5306102
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-23-16-4-6-18(7-5-16)25(21,22)19-13-15-8-10-20(11-9-15)14-17-3-2-12-24-17/h2-7,12,15,19H,8-11,13-14H2,1H3
InChIKeyKTHSKMOQYJGRSR-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 2805673
4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2169350
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
4-methoxy-N-{[1-(2-thienylcarbonyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 16189611
N-[[4-[4-(butylaminomethyl)phenyl]thiophen-2-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 53316699
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71451454
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-thienylmethyl)piperazine
CID 9166109
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629
N-(2-cyanoethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519184
N-(3-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 7398868

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 5306102) is 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is KTHSKMOQYJGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-23-16-4-6-18(7-5-16)25(21,22)19-13-15-8-10-20(11-9-15)14-17-3-2-12-24-17/h2-7,12,15,19H,8-11,13-14H2,1H3.
What are the key properties of 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 380.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 5306102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).