5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide

C17H16ClNOS — CID 46082739

IUPAC5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C17H16ClNOS/c1-3-10-19(11-4-2)17(20)16-9-8-15(21-16)13-6-5-7-14(18)12-13/h3-9,12H,1-2,10-11H2
InChIKeyPHKFTWUIRVVICH-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.88
Rot. Bonds6

About 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide

5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide (PubChem CID 46082739) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
PubChem CID46082739
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C17H16ClNOS/c1-3-10-19(11-4-2)17(20)16-9-8-15(21-16)13-6-5-7-14(18)12-13/h3-9,12H,1-2,10-11H2
InChIKeyPHKFTWUIRVVICH-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 53412007
N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082788
3-[(3-chlorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82325364
N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 78804826
2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
CID 142536310
3-[5-(3-chlorophenyl)thiophen-2-yl]-N,N-bis(cyanomethyl)prop-2-enamide
CID 75931192
(E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-N,N-bis(cyanomethyl)prop-2-enamide
CID 52832626
5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 39858601
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 810067
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide (CID 46082739) is 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide is C=CCN(CC=C)C(=O)c1ccc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The InChIKey is PHKFTWUIRVVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-3-10-19(11-4-2)17(20)16-9-8-15(21-16)13-6-5-7-14(18)12-13/h3-9,12H,1-2,10-11H2.
What are the key properties of 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide has a molecular weight of 317.84 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).