2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide

C30H29FN2O4S — CID 94864190

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H29FN2O4S/c1-3-37-26-17-15-25(16-18-26)33(38(35,36)27-19-13-24(31)14-20-27)21-29(34)32-30(23-10-5-4-6-11-23)28-12-8-7-9-22(28)2/h4-20,30H,3,21H2,1-2H3,(H,32,34)/t30-/m0/s1
InChIKeyAKUOHZMFWMYJOK-PMERELPUSA-N
MW532.64 g/mol
LogP5.63
Rot. Bonds10

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 94864190) has the molecular formula C30H29FN2O4S and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID94864190
Molecular FormulaC30H29FN2O4S
Molecular Weight532.64 g/mol
Exact Mass532.18
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H29FN2O4S/c1-3-37-26-17-15-25(16-18-26)33(38(35,36)27-19-13-24(31)14-20-27)21-29(34)32-30(23-10-5-4-6-11-23)28-12-8-7-9-22(28)2/h4-20,30H,3,21H2,1-2H3,(H,32,34)/t30-/m0/s1
InChIKeyAKUOHZMFWMYJOK-PMERELPUSA-N
XLogP5.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 46770563
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30304449
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99949202
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132624045
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92672306
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43904268
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 94862181
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057159
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide (CID 94864190) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide is CCOc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is AKUOHZMFWMYJOK-PMERELPUSA-N. The full InChI is InChI=1S/C30H29FN2O4S/c1-3-37-26-17-15-25(16-18-26)33(38(35,36)27-19-13-24(31)14-20-27)21-29(34)32-30(23-10-5-4-6-11-23)28-12-8-7-9-22(28)2/h4-20,30H,3,21H2,1-2H3,(H,32,34)/t30-/m0/s1.
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 532.64 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 94864190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).