3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide

C17H18BrNO4S — CID 4293409

IUPAC3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO4S/c1-2-23-15-7-5-14(6-8-15)19-17(20)11-12-24(21,22)16-9-3-13(18)4-10-16/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyOZJLKNIDDOWSSZ-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.65
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide (PubChem CID 4293409) has the molecular formula C17H18BrNO4S and a molecular weight of 412.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
PubChem CID4293409
Molecular FormulaC17H18BrNO4S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO4S/c1-2-23-15-7-5-14(6-8-15)19-17(20)11-12-24(21,22)16-9-3-13(18)4-10-16/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyOZJLKNIDDOWSSZ-UHFFFAOYSA-N
XLogP3.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
N-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
3-(5-bromothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 15988713
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
ethyl N-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]carbamate
CID 72711063
methyl N-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]carbamate
CID 72714339
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
(S)-2-(4-bromo-N-(4-ethoxyphenyl)phenylsulfonamido)-N-sec-butylacetamide
CID 2188265
N-(4-methoxyphenyl)-2-(phenylthio)propanamide
CID 2890263
3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 4109093

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide (CID 4293409) is 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
The InChIKey is OZJLKNIDDOWSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S/c1-2-23-15-7-5-14(6-8-15)19-17(20)11-12-24(21,22)16-9-3-13(18)4-10-16/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide has a molecular weight of 412.31 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 4293409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).