2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide

C19H23ClN2OS — CID 9298290

IUPAC2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1C(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C19H23ClN2OS/c1-4-11-22(12-15-9-10-18(20)24-15)13-19(23)21-17-8-6-5-7-16(17)14(2)3/h4-10,14H,1,11-13H2,2-3H3,(H,21,23)
InChIKeyUULKTQMRTUYGLU-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.15
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide

2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 9298290) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID9298290
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1C(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C19H23ClN2OS/c1-4-11-22(12-15-9-10-18(20)24-15)13-19(23)21-17-8-6-5-7-16(17)14(2)3/h4-10,14H,1,11-13H2,2-3H3,(H,21,23)
InChIKeyUULKTQMRTUYGLU-UHFFFAOYSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.15
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

2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 9298310
2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113148147
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
(2S)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-nitrophenyl)propanamide
CID 8773786
3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8694053
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9298449
(2S)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-phenylpropanamide
CID 8773794
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9298344
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541056
N-(2-bromo-4,6-difluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetamide
CID 78828504
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55411654

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide (CID 9298290) is 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide is C=CCN(CC(=O)Nc1ccccc1C(C)C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is UULKTQMRTUYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-4-11-22(12-15-9-10-18(20)24-15)13-19(23)21-17-8-6-5-7-16(17)14(2)3/h4-10,14H,1,11-13H2,2-3H3,(H,21,23).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide?
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 362.93 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 9298290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).