N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O5S2 — CID 4094700

IUPACN-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-24-15-8-7-14(11-16(15)25-2)19-18(21)13-5-3-9-20(12-13)27(22,23)17-6-4-10-26-17/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyUJXODNSUSSBHAY-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.80
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4094700) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID4094700
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-24-15-8-7-14(11-16(15)25-2)19-18(21)13-5-3-9-20(12-13)27(22,23)17-6-4-10-26-17/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,19,21)
InChIKeyUJXODNSUSSBHAY-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(thiophene-2-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 15988672
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(3-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322906
N-(4-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322907
N-(3,4-dimethoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15989583
1-(3-Methoxyphenyl)-4-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]piperazine
CID 16193988
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 3235901
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3238168
N~1~-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3242229

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 4094700) is N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is UJXODNSUSSBHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-24-15-8-7-14(11-16(15)25-2)19-18(21)13-5-3-9-20(12-13)27(22,23)17-6-4-10-26-17/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4094700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).