N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide

C22H29N3O3S — CID 112765512

IUPACN-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCC(C)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-18(2)17-24-13-15-25(16-14-24)22(26)20-11-7-8-12-21(20)29(27,28)23(3)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3
InChIKeyDUOWZMKHZZBBSF-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.93
Rot. Bonds6

About N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide

N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide (PubChem CID 112765512) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
PubChem CID112765512
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESCC(C)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-18(2)17-24-13-15-25(16-14-24)22(26)20-11-7-8-12-21(20)29(27,28)23(3)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3
InChIKeyDUOWZMKHZZBBSF-UHFFFAOYSA-N
XLogP2.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78857211
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 119483296
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860
1-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51251435
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide (CID 112765512) is N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide is CC(C)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The InChIKey is DUOWZMKHZZBBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18(2)17-24-13-15-25(16-14-24)22(26)20-11-7-8-12-21(20)29(27,28)23(3)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3.
What are the key properties of N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 112765512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).