2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

C29H32FN3O4S — CID 56923421

IUPAC2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C29H32FN3O4S/c1-21-11-8-9-18-26(21)28(29(35)32-23-13-4-2-5-14-23)33(24-15-10-12-22(30)19-24)27(34)20-31-38(36,37)25-16-6-3-7-17-25/h3,6-12,15-19,23,28,31H,2,4-5,13-14,20H2,1H3,(H,32,35)
InChIKeyLXYJNAPSMZWDGP-UHFFFAOYSA-N
MW537.66 g/mol
LogP4.64
Rot. Bonds9

About 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide (PubChem CID 56923421) has the molecular formula C29H32FN3O4S and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
PubChem CID56923421
Molecular FormulaC29H32FN3O4S
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC Name2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C29H32FN3O4S/c1-21-11-8-9-18-26(21)28(29(35)32-23-13-4-2-5-14-23)33(24-15-10-12-22(30)19-24)27(34)20-31-38(36,37)25-16-6-3-7-17-25/h3,6-12,15-19,23,28,31H,2,4-5,13-14,20H2,1H3,(H,32,35)
InChIKeyLXYJNAPSMZWDGP-UHFFFAOYSA-N
XLogP4.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide (CID 56923421) is 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The InChIKey is LXYJNAPSMZWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O4S/c1-21-11-8-9-18-26(21)28(29(35)32-23-13-4-2-5-14-23)33(24-15-10-12-22(30)19-24)27(34)20-31-38(36,37)25-16-6-3-7-17-25/h3,6-12,15-19,23,28,31H,2,4-5,13-14,20H2,1H3,(H,32,35).
What are the key properties of 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide has a molecular weight of 537.66 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzenesulfonamido)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56923421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).