3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

C16H14Cl2N4OS — CID 122275740

IUPAC3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H14Cl2N4OS/c17-14-3-1-11(7-15(14)18)2-4-16(23)19-8-12-9-22(21-20-12)13-5-6-24-10-13/h1,3,5-7,9-10H,2,4,8H2,(H,19,23)
InChIKeyLTZNBOHBTHWRRY-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.88
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide

3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 122275740) has the molecular formula C16H14Cl2N4OS and a molecular weight of 381.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
PubChem CID122275740
Molecular FormulaC16H14Cl2N4OS
Molecular Weight381.29 g/mol
Exact Mass380.03
IUPAC Name3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C16H14Cl2N4OS/c17-14-3-1-11(7-15(14)18)2-4-16(23)19-8-12-9-22(21-20-12)13-5-6-24-10-13/h1,3,5-7,9-10H,2,4,8H2,(H,19,23)
InChIKeyLTZNBOHBTHWRRY-UHFFFAOYSA-N
XLogP3.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
2-chloro-4-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122162202
2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275772
3-(3-chlorophenyl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121197902
2-ethyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
CID 122275830
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801
N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
CID 122275874
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275792
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275712

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (CID 122275740) is 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is LTZNBOHBTHWRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4OS/c17-14-3-1-11(7-15(14)18)2-4-16(23)19-8-12-9-22(21-20-12)13-5-6-24-10-13/h1,3,5-7,9-10H,2,4,8H2,(H,19,23).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 381.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122275740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).