1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

C18H21BrN2O4S2 — CID 22430615

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1
InChIInChI=1S/C18H21BrN2O4S2/c1-25-15-6-4-13(5-7-15)11-20-18(22)14-3-2-10-21(12-14)27(23,24)17-9-8-16(19)26-17/h4-9,14H,2-3,10-12H2,1H3,(H,20,22)
InChIKeyGXMSJPBRNMTRBV-UHFFFAOYSA-N
MW473.41 g/mol
LogP3.24
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 22430615) has the molecular formula C18H21BrN2O4S2 and a molecular weight of 473.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID22430615
Molecular FormulaC18H21BrN2O4S2
Molecular Weight473.41 g/mol
Exact Mass472.01
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1
InChIInChI=1S/C18H21BrN2O4S2/c1-25-15-6-4-13(5-7-15)11-20-18(22)14-3-2-10-21(12-14)27(23,24)17-9-8-16(19)26-17/h4-9,14H,2-3,10-12H2,1H3,(H,20,22)
InChIKeyGXMSJPBRNMTRBV-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
4-[(5-Bromothiophene-2-sulfonamido)methyl]-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5322939
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-(3-methoxybenzyl)glycinamide
CID 16002445
3-Methyl-N-[(4-propoxyphenyl)methyl]-2-(thiophene-2-sulfonamido)butanamide
CID 16028567
N-[(3-Methoxyphenyl)methyl]-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 22430642
3-(5-Bromothiophene-2-sulfonamido)-N-[(3-methoxyphenyl)methyl]propanamide
CID 15997663
3-(5-Bromothiophene-2-sulfonamido)-N-[(4-methoxyphenyl)methyl]propanamide
CID 24793646
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 22430545
N-(3-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 7398868
N-(1,3-benzodioxol-5-ylmethyl)-1-[(5-bromothien-2-yl)sulfonyl]piperidine-4-carboxamide
CID 3245751
1-[(5-Bromothiophen-2-YL)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 16002628
N-[(2-Methoxyphenyl)methyl]-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 16003927

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 22430615) is 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GXMSJPBRNMTRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S2/c1-25-15-6-4-13(5-7-15)11-20-18(22)14-3-2-10-21(12-14)27(23,24)17-9-8-16(19)26-17/h4-9,14H,2-3,10-12H2,1H3,(H,20,22).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 473.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 22430615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).