N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide

C22H29N3O3S — CID 53287788

IUPACN-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O3S/c1-17-5-6-18(2)21(15-17)25(29(4,27)28)16-19-7-9-20(10-8-19)22(26)24-13-11-23(3)12-14-24/h5-10,15H,11-14,16H2,1-4H3
InChIKeySLNMKTAKIAXUOO-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.66
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide

N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide (PubChem CID 53287788) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
PubChem CID53287788
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O3S/c1-17-5-6-18(2)21(15-17)25(29(4,27)28)16-19-7-9-20(10-8-19)22(26)24-13-11-23(3)12-14-24/h5-10,15H,11-14,16H2,1-4H3
InChIKeySLNMKTAKIAXUOO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 133202157
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571603
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676378
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 100589214
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133220319
N-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]methanesulfonamide
CID 95118984
ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1085929
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132566
N-(2,6-dimethylphenyl)-N-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 100774007
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 125081962

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide (CID 53287788) is N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide is Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The InChIKey is SLNMKTAKIAXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-5-6-18(2)21(15-17)25(29(4,27)28)16-19-7-9-20(10-8-19)22(26)24-13-11-23(3)12-14-24/h5-10,15H,11-14,16H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide?
N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 53287788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).