2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C22H29N3O3S — CID 39689019

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-18-8-10-21(11-9-18)29(27,28)24(2)17-22(26)23-15-19-6-5-7-20(14-19)16-25-12-3-4-13-25/h5-11,14H,3-4,12-13,15-17H2,1-2H3,(H,23,26)
InChIKeyGZTOVZOQEQYBOG-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.53
Rot. Bonds8

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 39689019) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID39689019
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-18-8-10-21(11-9-18)29(27,28)24(2)17-22(26)23-15-19-6-5-7-20(14-19)16-25-12-3-4-13-25/h5-11,14H,3-4,12-13,15-17H2,1-2H3,(H,23,26)
InChIKeyGZTOVZOQEQYBOG-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide 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-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
CID 46415351
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767049
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767051
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767547
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41438126
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767550
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767630
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
4,4,4-trifluoro-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 91780010

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 39689019) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is GZTOVZOQEQYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18-8-10-21(11-9-18)29(27,28)24(2)17-22(26)23-15-19-6-5-7-20(14-19)16-25-12-3-4-13-25/h5-11,14H,3-4,12-13,15-17H2,1-2H3,(H,23,26).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 39689019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).