N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide

C19H21FN2O2S — CID 36801314

IUPACN-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)/C=C/c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H21FN2O2S/c1-13(2)19(24)22-12-11-21-18(23)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)/b10-8+
InChIKeySTYCRLRGTQKQQO-CSKARUKUSA-N
MW360.45 g/mol
LogP3.46
Rot. Bonds7

About N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide

N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide (PubChem CID 36801314) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
PubChem CID36801314
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)/C=C/c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H21FN2O2S/c1-13(2)19(24)22-12-11-21-18(23)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)/b10-8+
InChIKeySTYCRLRGTQKQQO-CSKARUKUSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide 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

(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 46553076
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 46564232
(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 68715960
3-[[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 33098154
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 36654925
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methoxy-N-methylprop-2-enamide
CID 47153642
3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55933444
(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 36815969
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 98910939
propan-2-yl 2-[[(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]prop-2-enoyl]amino]acetate
CID 56551270
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 46593071
N,N-bis(2-amino-2-oxoethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 72685707

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide (CID 36801314) is N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)/C=C/c1ccc(-c2ccccc2F)s1.
What is the InChIKey of N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is STYCRLRGTQKQQO-CSKARUKUSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13(2)19(24)22-12-11-21-18(23)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)/b10-8+.
What are the key properties of N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 360.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 36801314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).