3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C21H25N3O5S — CID 55347584

IUPAC3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(C)=O)CC3)c2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15-4-9-19(30(27,28)22-17-5-7-18(29-3)8-6-17)14-20(15)21(26)24-12-10-23(11-13-24)16(2)25/h4-9,14,22H,10-13H2,1-3H3
InChIKeyOXVNZWUEVCOOCW-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.11
Rot. Bonds5

About 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 55347584) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID55347584
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(C)=O)CC3)c2)cc1
InChIInChI=1S/C21H25N3O5S/c1-15-4-9-19(30(27,28)22-17-5-7-18(29-3)8-6-17)14-20(15)21(26)24-12-10-23(11-13-24)16(2)25/h4-9,14,22H,10-13H2,1-3H3
InChIKeyOXVNZWUEVCOOCW-UHFFFAOYSA-N
XLogP2.11
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55843878
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55654984
3-[4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 25350794
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 66580313
3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 55956313
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
N-(4-tert-butylphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 53258173
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 55347584) is 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(C)=O)CC3)c2)cc1.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is OXVNZWUEVCOOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15-4-9-19(30(27,28)22-17-5-7-18(29-3)8-6-17)14-20(15)21(26)24-12-10-23(11-13-24)16(2)25/h4-9,14,22H,10-13H2,1-3H3.
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 431.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 55347584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).