2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide

C28H25FN2O3S — CID 30304751

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25FN2O3S/c1-21-16-18-23(19-17-21)28(22-10-4-2-5-11-22)30-27(32)20-31(26-15-9-8-14-25(26)29)35(33,34)24-12-6-3-7-13-24/h2-19,28H,20H2,1H3,(H,30,32)/t28-/m1/s1
InChIKeyLFGNTAPKDHYDLB-MUUNZHRXSA-N
MW488.58 g/mol
LogP5.24
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 30304751) has the molecular formula C28H25FN2O3S and a molecular weight of 488.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID30304751
Molecular FormulaC28H25FN2O3S
Molecular Weight488.58 g/mol
Exact Mass488.16
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25FN2O3S/c1-21-16-18-23(19-17-21)28(22-10-4-2-5-11-22)30-27(32)20-31(26-15-9-8-14-25(26)29)35(33,34)24-12-6-3-7-13-24/h2-19,28H,20H2,1H3,(H,30,32)/t28-/m1/s1
InChIKeyLFGNTAPKDHYDLB-MUUNZHRXSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92677777
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902503
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305110
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 46771213
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897308
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (CID 30304751) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@H](NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is LFGNTAPKDHYDLB-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H25FN2O3S/c1-21-16-18-23(19-17-21)28(22-10-4-2-5-11-22)30-27(32)20-31(26-15-9-8-14-25(26)29)35(33,34)24-12-6-3-7-13-24/h2-19,28H,20H2,1H3,(H,30,32)/t28-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 488.58 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 30304751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).