N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide

C26H23N3O6S — CID 19132942

IUPACN-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(ccc5ccccc54)oc3=O)CC2)cc1
InChIInChI=1S/C26H23N3O6S/c1-17(30)27-19-7-9-20(10-8-19)36(33,34)29-14-12-28(13-15-29)25(31)23-16-22-21-5-3-2-4-18(21)6-11-24(22)35-26(23)32/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyRKVOPHBAAADJTE-UHFFFAOYSA-N
MW505.55 g/mol
LogP3.05
Rot. Bonds4

About N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 19132942) has the molecular formula C26H23N3O6S and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID19132942
Molecular FormulaC26H23N3O6S
Molecular Weight505.55 g/mol
Exact Mass505.13
IUPAC NameN-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(ccc5ccccc54)oc3=O)CC2)cc1
InChIInChI=1S/C26H23N3O6S/c1-17(30)27-19-7-9-20(10-8-19)36(33,34)29-14-12-28(13-15-29)25(31)23-16-22-21-5-3-2-4-18(21)6-11-24(22)35-26(23)32/h2-11,16H,12-15H2,1H3,(H,27,30)
InChIKeyRKVOPHBAAADJTE-UHFFFAOYSA-N
XLogP3.05
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpiperidine-1-carbonyl)benzo[f]chromen-3-one
CID 16645671
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
CID 19132811
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonylphenyl]acetamide;oxalic acid
CID 126477348
1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
CID 19132814
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
(3-methylbenzo[g][1]benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904388
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 19132942) is N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(ccc5ccccc54)oc3=O)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RKVOPHBAAADJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6S/c1-17(30)27-19-7-9-20(10-8-19)36(33,34)29-14-12-28(13-15-29)25(31)23-16-22-21-5-3-2-4-18(21)6-11-24(22)35-26(23)32/h2-11,16H,12-15H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 505.55 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 19132942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).