N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C22H29N3O3S — CID 9152175

IUPACN-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1
InChIInChI=1S/C22H29N3O3S/c1-17(2)23(4)29(27,28)20-10-7-9-19(16-20)22(26)25-14-12-24(13-15-25)21-11-6-5-8-18(21)3/h5-11,16-17H,12-15H2,1-4H3
InChIKeyMUKMAIGIYKFABY-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 9152175) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID9152175
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1
InChIInChI=1S/C22H29N3O3S/c1-17(2)23(4)29(27,28)20-10-7-9-19(16-20)22(26)25-14-12-24(13-15-25)21-11-6-5-8-18(21)3/h5-11,16-17H,12-15H2,1-4H3
InChIKeyMUKMAIGIYKFABY-UHFFFAOYSA-N
XLogP2.99
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 9153252
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
N-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 39731562
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119411388
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9153319
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 9152175) is N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1.
What is the InChIKey of N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is MUKMAIGIYKFABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17(2)23(4)29(27,28)20-10-7-9-19(16-20)22(26)25-14-12-24(13-15-25)21-11-6-5-8-18(21)3/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 9152175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).