2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

C27H23FN2O3S2 — CID 22305034

IUPAC2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(F)cc1S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C27H23FN2O3S2/c28-21-13-16-25(26(17-21)35(32,33)24-9-5-2-6-10-24)29-18-27(31)30-22-14-11-20(12-15-22)19-34-23-7-3-1-4-8-23/h1-17,29H,18-19H2,(H,30,31)
InChIKeyCEUNYHKRGWTOPA-UHFFFAOYSA-N
MW506.62 g/mol
LogP6.00
Rot. Bonds9

About 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 22305034) has the molecular formula C27H23FN2O3S2 and a molecular weight of 506.62 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID22305034
Molecular FormulaC27H23FN2O3S2
Molecular Weight506.62 g/mol
Exact Mass506.11
IUPAC Name2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(F)cc1S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C27H23FN2O3S2/c28-21-13-16-25(26(17-21)35(32,33)24-9-5-2-6-10-24)29-18-27(31)30-22-14-11-20(12-15-22)19-34-23-7-3-1-4-8-23/h1-17,29H,18-19H2,(H,30,31)
InChIKeyCEUNYHKRGWTOPA-UHFFFAOYSA-N
XLogP6.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
CID 22304214
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 100757828
2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
CID 16576531
3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 100714513
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide
CID 22304868
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43881820
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
CID 71835143

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (CID 22305034) is 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is O=C(CNc1ccc(F)cc1S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is CEUNYHKRGWTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O3S2/c28-21-13-16-25(26(17-21)35(32,33)24-9-5-2-6-10-24)29-18-27(31)30-22-14-11-20(12-15-22)19-34-23-7-3-1-4-8-23/h1-17,29H,18-19H2,(H,30,31).
What are the key properties of 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 506.62 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 22305034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).