N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

C22H30N4O3S — CID 50822497

IUPACN,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)N(C)C)c2)cc1C
InChIInChI=1S/C22H30N4O3S/c1-15-12-17(3)21(13-16(15)2)30(28,29)24-18-6-7-20(26-10-8-23-9-11-26)19(14-18)22(27)25(4)5/h6-7,12-14,23-24H,8-11H2,1-5H3
InChIKeyBWVVBJUEBVOUER-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.52
Rot. Bonds5

About N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 50822497) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
PubChem CID50822497
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)N(C)C)c2)cc1C
InChIInChI=1S/C22H30N4O3S/c1-15-12-17(3)21(13-16(15)2)30(28,29)24-18-6-7-20(26-10-8-23-9-11-26)19(14-18)22(27)25(4)5/h6-7,12-14,23-24H,8-11H2,1-5H3
InChIKeyBWVVBJUEBVOUER-UHFFFAOYSA-N
XLogP2.52
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.52
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-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 20972197
N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 92880535
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N,N-dimethyl-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062483
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide
CID 46379624
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120
N-butyl-5-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062506
N-[(2R)-butan-2-yl]-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92895458
5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333492
5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379655
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 50822883
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333735

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (CID 50822497) is N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCNCC3)c(C(=O)N(C)C)c2)cc1C.
What is the InChIKey of N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is BWVVBJUEBVOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-15-12-17(3)21(13-16(15)2)30(28,29)24-18-6-7-20(26-10-8-23-9-11-26)19(14-18)22(27)25(4)5/h6-7,12-14,23-24H,8-11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 50822497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).