2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide

C22H19BrFNO3S — CID 112827216

IUPAC2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19BrFNO3S/c23-19-10-6-16(7-11-19)14-29(27,28)15-21(26)25-22(17-4-2-1-3-5-17)18-8-12-20(24)13-9-18/h1-13,22H,14-15H2,(H,25,26)
InChIKeyAGKUZYXOTLYTQQ-UHFFFAOYSA-N
MW476.37 g/mol
LogP4.41
Rot. Bonds7

About 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide

2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide (PubChem CID 112827216) has the molecular formula C22H19BrFNO3S and a molecular weight of 476.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
PubChem CID112827216
Molecular FormulaC22H19BrFNO3S
Molecular Weight476.37 g/mol
Exact Mass475.03
IUPAC Name2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19BrFNO3S/c23-19-10-6-16(7-11-19)14-29(27,28)15-21(26)25-22(17-4-2-1-3-5-17)18-8-12-20(24)13-9-18/h1-13,22H,14-15H2,(H,25,26)
InChIKeyAGKUZYXOTLYTQQ-UHFFFAOYSA-N
XLogP4.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 55756422
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 112826367
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55609022
2-(2-chlorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55583548
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
2-(4-fluorophenyl)-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 100750032

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide (CID 112827216) is 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide is O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The InChIKey is AGKUZYXOTLYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFNO3S/c23-19-10-6-16(7-11-19)14-29(27,28)15-21(26)25-22(17-4-2-1-3-5-17)18-8-12-20(24)13-9-18/h1-13,22H,14-15H2,(H,25,26).
What are the key properties of 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide has a molecular weight of 476.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 112827216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).