N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide

C13H10ClN5OS — CID 50777053

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C13H10ClN5OS/c14-11-4-3-9(19-8-15-17-18-19)6-12(11)16-13(20)7-10-2-1-5-21-10/h1-6,8H,7H2,(H,16,20)
InChIKeyPHYRMBROZDPACZ-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.56
Rot. Bonds4

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 50777053) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID50777053
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C13H10ClN5OS/c14-11-4-3-9(19-8-15-17-18-19)6-12(11)16-13(20)7-10-2-1-5-21-10/h1-6,8H,7H2,(H,16,20)
InChIKeyPHYRMBROZDPACZ-UHFFFAOYSA-N
XLogP2.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
N-[2-chloro-5-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55813793
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[[2-(2-methylpropyl)phenyl]methylsulfanyl]acetamide
CID 167981321
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34548469

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 50777053) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is PHYRMBROZDPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-11-4-3-9(19-8-15-17-18-19)6-12(11)16-13(20)7-10-2-1-5-21-10/h1-6,8H,7H2,(H,16,20).
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 319.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 50777053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).