3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide

C15H14ClN5OS — CID 860036

IUPAC3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1cccs1
InChIInChI=1S/C15H14ClN5OS/c16-12-5-3-11(4-6-12)15-18-20-21(19-15)8-7-14(22)17-10-13-2-1-9-23-13/h1-6,9H,7-8,10H2,(H,17,22)
InChIKeyCRDSXJISYRYPJY-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.76
Rot. Bonds6

About 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 860036) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID860036
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1cccs1
InChIInChI=1S/C15H14ClN5OS/c16-12-5-3-11(4-6-12)15-18-20-21(19-15)8-7-14(22)17-10-13-2-1-9-23-13/h1-6,9H,7-8,10H2,(H,17,22)
InChIKeyCRDSXJISYRYPJY-UHFFFAOYSA-N
XLogP2.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51096564
N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
CID 655576
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 51219329
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylpropanamide
CID 56791234
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9462455
3-[11-(4-chlorophenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 56685032
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 134007750
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 860036) is 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1cccs1.
What is the InChIKey of 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is CRDSXJISYRYPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-12-5-3-11(4-6-12)15-18-20-21(19-15)8-7-14(22)17-10-13-2-1-9-23-13/h1-6,9H,7-8,10H2,(H,17,22).
What are the key properties of 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 347.83 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 860036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).