N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide

C25H27N3O4S — CID 1317585

IUPACN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18(2)20-9-15-23(16-10-20)28(33(31,32)24-7-5-4-6-8-24)17-25(30)27-22-13-11-21(12-14-22)26-19(3)29/h4-16,18H,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyAKZXZZMEUOIGCX-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.60
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide (PubChem CID 1317585) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide
PubChem CID1317585
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18(2)20-9-15-23(16-10-20)28(33(31,32)24-7-5-4-6-8-24)17-25(30)27-22-13-11-21(12-14-22)26-19(3)29/h4-16,18H,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyAKZXZZMEUOIGCX-UHFFFAOYSA-N
XLogP4.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide (CID 1317585) is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide?
The InChIKey is AKZXZZMEUOIGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-18(2)20-9-15-23(16-10-20)28(33(31,32)24-7-5-4-6-8-24)17-25(30)27-22-13-11-21(12-14-22)26-19(3)29/h4-16,18H,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide?
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide has a molecular weight of 465.58 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetamide is sourced from PubChem (CID 1317585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).