2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H25N3O3S — CID 133166793

IUPAC2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(C(C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-22(27(2,25)26)19(16-8-4-3-5-9-16)20(24)21-17-10-12-18(13-11-17)23-14-6-7-15-23/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyMEGUZWUCPHGWAY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.86
Rot. Bonds6

About 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 133166793) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID133166793
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(C(C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-22(27(2,25)26)19(16-8-4-3-5-9-16)20(24)21-17-10-12-18(13-11-17)23-14-6-7-15-23/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyMEGUZWUCPHGWAY-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.86
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

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]-2-phenylacetamide
CID 125058003
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 133184784
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
(2R)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049780
(2S)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049776
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide
CID 110622860
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166753
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502277

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 133166793) is 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide is CN(C(C(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is MEGUZWUCPHGWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(27(2,25)26)19(16-8-4-3-5-9-16)20(24)21-17-10-12-18(13-11-17)23-14-6-7-15-23/h3-5,8-13,19H,6-7,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 133166793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).