1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide

C21H25N3O5S — CID 2517041

IUPAC1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-23(18-5-3-4-6-19(18)29-2)30(27,28)17-9-7-16(8-10-17)21(26)24-13-11-15(12-14-24)20(22)25/h3-10,15H,11-14H2,1-2H3,(H2,22,25)
InChIKeyABRBHPLOMVSGKX-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.86
Rot. Bonds6

About 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide

1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide (PubChem CID 2517041) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide
PubChem CID2517041
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-23(18-5-3-4-6-19(18)29-2)30(27,28)17-9-7-16(8-10-17)21(26)24-13-11-15(12-14-24)20(22)25/h3-10,15H,11-14H2,1-2H3,(H2,22,25)
InChIKeyABRBHPLOMVSGKX-UHFFFAOYSA-N
XLogP1.86
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-(((2-Methoxyphenyl)methylamino)sulfonyl)benzoic acid
CID 2360199
3-[1-[4-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085866
3-[1-[4-(5-Methyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085926
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide (CID 2517041) is 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide?
The InChIKey is ABRBHPLOMVSGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-23(18-5-3-4-6-19(18)29-2)30(27,28)17-9-7-16(8-10-17)21(26)24-13-11-15(12-14-24)20(22)25/h3-10,15H,11-14H2,1-2H3,(H2,22,25).
What are the key properties of 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide?
1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2517041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).