2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide

C24H24BrN3O3S — CID 4250371

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide
SMILESCC(CCc1ccccc1)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24BrN3O3S/c1-19(12-13-20-8-4-2-5-9-20)26-27-24(29)18-28(22-16-14-21(25)15-17-22)32(30,31)23-10-6-3-7-11-23/h2-11,14-17H,12-13,18H2,1H3,(H,27,29)
InChIKeyZVENKPQSKXNBJH-UHFFFAOYSA-N
MW514.45 g/mol
LogP4.77
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide (PubChem CID 4250371) has the molecular formula C24H24BrN3O3S and a molecular weight of 514.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide
PubChem CID4250371
Molecular FormulaC24H24BrN3O3S
Molecular Weight514.45 g/mol
Exact Mass513.07
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide
SMILESCC(CCc1ccccc1)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24BrN3O3S/c1-19(12-13-20-8-4-2-5-9-20)26-27-24(29)18-28(22-16-14-21(25)15-17-22)32(30,31)23-10-6-3-7-11-23/h2-11,14-17H,12-13,18H2,1H3,(H,27,29)
InChIKeyZVENKPQSKXNBJH-UHFFFAOYSA-N
XLogP4.77
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6367634
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-4-phenylbutan-2-ylideneamino]acetamide
CID 126029961
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 46919896
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4200669
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]acetamide
CID 124542764
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide (CID 4250371) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide is CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide?
The InChIKey is ZVENKPQSKXNBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3S/c1-19(12-13-20-8-4-2-5-9-20)26-27-24(29)18-28(22-16-14-21(25)15-17-22)32(30,31)23-10-6-3-7-11-23/h2-11,14-17H,12-13,18H2,1H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide has a molecular weight of 514.45 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-phenylbutan-2-ylideneamino)acetamide is sourced from PubChem (CID 4250371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).