N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide

C20H19BrN2O4S2 — CID 39709166

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2O4S2/c1-27-18-10-8-16(22-20(24)11-9-17-3-2-12-28-17)13-19(18)29(25,26)23-15-6-4-14(21)5-7-15/h2-8,10,12-13,23H,9,11H2,1H3,(H,22,24)
InChIKeyZNCBFRYPMWGOCC-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.89
Rot. Bonds8

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide (PubChem CID 39709166) has the molecular formula C20H19BrN2O4S2 and a molecular weight of 495.42 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
PubChem CID39709166
Molecular FormulaC20H19BrN2O4S2
Molecular Weight495.42 g/mol
Exact Mass494.00
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2O4S2/c1-27-18-10-8-16(22-20(24)11-9-17-3-2-12-28-17)13-19(18)29(25,26)23-15-6-4-14(21)5-7-15/h2-8,10,12-13,23H,9,11H2,1H3,(H,22,24)
InChIKeyZNCBFRYPMWGOCC-UHFFFAOYSA-N
XLogP4.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide (CID 39709166) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide is COc1ccc(NC(=O)CCc2cccs2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is ZNCBFRYPMWGOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4S2/c1-27-18-10-8-16(22-20(24)11-9-17-3-2-12-28-17)13-19(18)29(25,26)23-15-6-4-14(21)5-7-15/h2-8,10,12-13,23H,9,11H2,1H3,(H,22,24).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 495.42 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 39709166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).