N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

C17H21BrN2O4S2 — CID 55975154

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(C)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C17H21BrN2O4S2/c1-12(2)24-14-6-4-13(5-7-14)19-26(22,23)11-17(21)20(3)10-15-8-9-16(18)25-15/h4-9,12,19H,10-11H2,1-3H3
InChIKeyHSXDYCPXJWAJEP-UHFFFAOYSA-N
MW461.40 g/mol
LogP3.70
Rot. Bonds8

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (PubChem CID 55975154) has the molecular formula C17H21BrN2O4S2 and a molecular weight of 461.40 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
PubChem CID55975154
Molecular FormulaC17H21BrN2O4S2
Molecular Weight461.40 g/mol
Exact Mass460.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(C)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C17H21BrN2O4S2/c1-12(2)24-14-6-4-13(5-7-14)19-26(22,23)11-17(21)20(3)10-15-8-9-16(18)25-15/h4-9,12,19H,10-11H2,1-3H3
InChIKeyHSXDYCPXJWAJEP-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide with MolForge

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Related Compounds

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55821184
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
CID 119198613
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 9108866
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 56572573
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27839495
cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677637
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531108
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
CID 24547346

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (CID 55975154) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(C)Cc2ccc(Br)s2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The InChIKey is HSXDYCPXJWAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O4S2/c1-12(2)24-14-6-4-13(5-7-14)19-26(22,23)11-17(21)20(3)10-15-8-9-16(18)25-15/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide has a molecular weight of 461.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 55975154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).