2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide

C16H23N3O3S — CID 113156254

IUPAC2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(N2CCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-3-10-17-16(20)13-19(23(2,21)22)15-8-6-14(7-9-15)18-11-4-5-12-18/h3,6-9H,1,4-5,10-13H2,2H3,(H,17,20)
InChIKeyMRLIUBMQLMXVMB-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.36
Rot. Bonds7

About 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide

2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide (PubChem CID 113156254) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
PubChem CID113156254
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(N2CCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-3-10-17-16(20)13-19(23(2,21)22)15-8-6-14(7-9-15)18-11-4-5-12-18/h3,6-9H,1,4-5,10-13H2,2H3,(H,17,20)
InChIKeyMRLIUBMQLMXVMB-UHFFFAOYSA-N
XLogP1.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide 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

2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 113156103
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 3546323
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272473
2-methyl-N-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113071351
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
CID 113156320

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide (CID 113156254) is 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccc(N2CCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide?
The InChIKey is MRLIUBMQLMXVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-10-17-16(20)13-19(23(2,21)22)15-8-6-14(7-9-15)18-11-4-5-12-18/h3,6-9H,1,4-5,10-13H2,2H3,(H,17,20).
What are the key properties of 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide?
2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide has a molecular weight of 337.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113156254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).