3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide

C19H21ClN2O2S — CID 78792303

IUPAC3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O2S/c1-3-11-22(13-16-9-10-18(20)25-16)19(24)12-17(21-14(2)23)15-7-5-4-6-8-15/h3-10,17H,1,11-13H2,2H3,(H,21,23)
InChIKeyJVXCGGFDARDKGR-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.18
Rot. Bonds8

About 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide

3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 78792303) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide
PubChem CID78792303
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O2S/c1-3-11-22(13-16-9-10-18(20)25-16)19(24)12-17(21-14(2)23)15-7-5-4-6-8-15/h3-10,17H,1,11-13H2,2H3,(H,21,23)
InChIKeyJVXCGGFDARDKGR-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 9298310
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 51314164
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
5-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934239
N-[(5-chlorothiophen-2-yl)methyl]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 9108589

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide (CID 78792303) is 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is JVXCGGFDARDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-3-11-22(13-16-9-10-18(20)25-16)19(24)12-17(21-14(2)23)15-7-5-4-6-8-15/h3-10,17H,1,11-13H2,2H3,(H,21,23).
What are the key properties of 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide?
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 376.91 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 78792303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).