3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide

C20H25N3O3S — CID 100507663

IUPAC3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-15-14-16(6-11-19(15)22(2)27(3,25)26)20(24)21-17-7-9-18(10-8-17)23-12-4-5-13-23/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyIKODBWWKOPLAFT-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.24
Rot. Bonds5

About 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide

3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 100507663) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID100507663
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-15-14-16(6-11-19(15)22(2)27(3,25)26)20(24)21-17-7-9-18(10-8-17)23-12-4-5-13-23/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyIKODBWWKOPLAFT-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100504301
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524251
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide
CID 131927952
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503654
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 100507663) is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide is Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is IKODBWWKOPLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-14-16(6-11-19(15)22(2)27(3,25)26)20(24)21-17-7-9-18(10-8-17)23-12-4-5-13-23/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 100507663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).