4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide

C24H29N3O4S — CID 55957914

IUPAC4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2)cc1
InChIInChI=1S/C24H29N3O4S/c1-18(28)21-8-10-23(11-9-21)32(30,31)25-16-19-4-6-22(7-5-19)24(29)27-14-12-26(13-15-27)17-20-2-3-20/h4-11,20,25H,2-3,12-17H2,1H3
InChIKeyDAXOEXQXQAAKAM-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.54
Rot. Bonds8

About 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide

4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide (PubChem CID 55957914) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
PubChem CID55957914
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2)cc1
InChIInChI=1S/C24H29N3O4S/c1-18(28)21-8-10-23(11-9-21)32(30,31)25-16-19-4-6-22(7-5-19)24(29)27-14-12-26(13-15-27)17-20-2-3-20/h4-11,20,25H,2-3,12-17H2,1H3
InChIKeyDAXOEXQXQAAKAM-UHFFFAOYSA-N
XLogP2.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55957916
4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-N-ethylbenzenesulfonamide
CID 55956481
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55958812
4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 56537927
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
CID 176683805
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 5073698
4-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 78862459

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide (CID 55957914) is 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is DAXOEXQXQAAKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-18(28)21-8-10-23(11-9-21)32(30,31)25-16-19-4-6-22(7-5-19)24(29)27-14-12-26(13-15-27)17-20-2-3-20/h4-11,20,25H,2-3,12-17H2,1H3.
What are the key properties of 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide?
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55957914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).