2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide

C20H23N3O4S — CID 2193981

IUPAC2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H23N3O4S/c1-4-14-21-20(25)17-12-8-9-13-18(17)22-19(24)15(2)23(28(3,26)27)16-10-6-5-7-11-16/h4-13,15H,1,14H2,2-3H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyZPMGNTABPTWLHA-OAHLLOKOSA-N
MW401.49 g/mol
LogP2.40
Rot. Bonds8

About 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide

2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 2193981) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
PubChem CID2193981
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H23N3O4S/c1-4-14-21-20(25)17-12-8-9-13-18(17)22-19(24)15(2)23(28(3,26)27)16-10-6-5-7-11-16/h4-13,15H,1,14H2,2-3H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyZPMGNTABPTWLHA-OAHLLOKOSA-N
XLogP2.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide 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-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
CID 2243067
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2239247
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 34744685
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2217803
N-(furan-2-ylmethyl)-2-[[(2S)-2-(4-methyl-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 2234210
N-(furan-2-ylmethyl)-2-[[(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]amino]benzamide
CID 126146621
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide (CID 2193981) is 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is ZPMGNTABPTWLHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-14-21-20(25)17-12-8-9-13-18(17)22-19(24)15(2)23(28(3,26)27)16-10-6-5-7-11-16/h4-13,15H,1,14H2,2-3H3,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide?
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 401.49 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 2193981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).