N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide

C24H34N4O3S — CID 46379624

IUPACN-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
SMILESCCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1N1CCNCC1
InChIInChI=1S/C24H34N4O3S/c1-5-6-13-27(4)24(29)22-17-20(8-10-23(22)28-14-11-25-12-15-28)26-32(30,31)21-9-7-18(2)19(3)16-21/h7-10,16-17,25-26H,5-6,11-15H2,1-4H3
InChIKeyAAEWWRFTPSCUPC-UHFFFAOYSA-N
MW458.63 g/mol
LogP3.39
Rot. Bonds8

About N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide

N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide (PubChem CID 46379624) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
PubChem CID46379624
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
SMILESCCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1N1CCNCC1
InChIInChI=1S/C24H34N4O3S/c1-5-6-13-27(4)24(29)22-17-20(8-10-23(22)28-14-11-25-12-15-28)26-32(30,31)21-9-7-18(2)19(3)16-21/h7-10,16-17,25-26H,5-6,11-15H2,1-4H3
InChIKeyAAEWWRFTPSCUPC-UHFFFAOYSA-N
XLogP3.39
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062506
N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 20972197
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 50822497
N-butyl-5-[(4-chlorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108196
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
N-butyl-N-ethyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146071543
N-butyl-N-methyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333391
5-[(4-bromophenyl)sulfonylamino]-N-ethyl-2-piperazin-1-ylbenzamide
CID 46379559
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-ylbenzamide
CID 46333381
N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 92880535
5-[(4-tert-butylphenyl)sulfonylamino]-2-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146062562

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide?
The IUPAC name of N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide (CID 46379624) is N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide.
What is the SMILES notation for N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide?
The canonical SMILES for N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide is CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1N1CCNCC1.
What is the InChIKey of N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide?
The InChIKey is AAEWWRFTPSCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-5-6-13-27(4)24(29)22-17-20(8-10-23(22)28-14-11-25-12-15-28)26-32(30,31)21-9-7-18(2)19(3)16-21/h7-10,16-17,25-26H,5-6,11-15H2,1-4H3.
What are the key properties of N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide?
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide has a molecular weight of 458.63 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 46379624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).