4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C21H21N3O4S — CID 25391222

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15(20-5-3-4-14-22-20)23-21(25)16-6-12-19(13-7-16)29(26,27)24-17-8-10-18(28-2)11-9-17/h3-15,24H,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyZDBLHTYPPZFBCD-HNNXBMFYSA-N
MW411.48 g/mol
LogP3.38
Rot. Bonds7

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 25391222) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID25391222
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15(20-5-3-4-14-22-20)23-21(25)16-6-12-19(13-7-16)29(26,27)24-17-8-10-18(28-2)11-9-17/h3-15,24H,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyZDBLHTYPPZFBCD-HNNXBMFYSA-N
XLogP3.38
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 47005486
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55825890
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24575372
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121690
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 25391222) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is ZDBLHTYPPZFBCD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15(20-5-3-4-14-22-20)23-21(25)16-6-12-19(13-7-16)29(26,27)24-17-8-10-18(28-2)11-9-17/h3-15,24H,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 25391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).