4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C20H24BrNO3S — CID 86937446

IUPAC4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC(C)Oc1cccc(CNC(=O)CCCS(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H24BrNO3S/c1-15(2)25-18-6-3-5-16(13-18)14-22-20(23)7-4-12-26(24)19-10-8-17(21)9-11-19/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,22,23)
InChIKeyYIXTYXAIILWIQV-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.44
Rot. Bonds9

About 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 86937446) has the molecular formula C20H24BrNO3S and a molecular weight of 438.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID86937446
Molecular FormulaC20H24BrNO3S
Molecular Weight438.39 g/mol
Exact Mass437.07
IUPAC Name4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC(C)Oc1cccc(CNC(=O)CCCS(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H24BrNO3S/c1-15(2)25-18-6-3-5-16(13-18)14-22-20(23)7-4-12-26(24)19-10-8-17(21)9-11-19/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,22,23)
InChIKeyYIXTYXAIILWIQV-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-(4-bromophenyl)sulfinylbutanamide
CID 119499048
3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 86888872
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
4-[4-(4-bromophenyl)sulfinylbutanoylamino]butanoic acid
CID 119170548
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
CID 122556142
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286851

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 86937446) is 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CC(C)Oc1cccc(CNC(=O)CCCS(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is YIXTYXAIILWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3S/c1-15(2)25-18-6-3-5-16(13-18)14-22-20(23)7-4-12-26(24)19-10-8-17(21)9-11-19/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 438.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfinyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 86937446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).