N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide

C20H25N3O3S — CID 113156273

IUPACN-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-27(25,26)23(16-20(24)21-15-17-7-3-2-4-8-17)19-11-9-18(10-12-19)22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24)
InChIKeyDSRTVYNYZWMTON-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.37
Rot. Bonds7

About N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide

N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 113156273) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
PubChem CID113156273
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-27(25,26)23(16-20(24)21-15-17-7-3-2-4-8-17)19-11-9-18(10-12-19)22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24)
InChIKeyDSRTVYNYZWMTON-UHFFFAOYSA-N
XLogP2.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.37
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

2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272473
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
CID 113156254
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156230
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(4-iodo-N-methylsulfonylanilino)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 43897366
N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767610
3-benzyl-1-methyl-1-(4-pyrrolidin-1-ylphenyl)urea
CID 110752184
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide (CID 113156273) is N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is DSRTVYNYZWMTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-27(25,26)23(16-20(24)21-15-17-7-3-2-4-8-17)19-11-9-18(10-12-19)22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide?
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 113156273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).