N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide

C14H12ClN5OS — CID 51087437

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H12ClN5OS/c15-13-6-5-12(22-13)7-8-16-14(21)10-1-3-11(4-2-10)20-9-17-18-19-20/h1-6,9H,7-8H2,(H,16,21)
InChIKeySSNJOOQOVNQLPN-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 51087437) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID51087437
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1ccc(Cl)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H12ClN5OS/c15-13-6-5-12(22-13)7-8-16-14(21)10-1-3-11(4-2-10)20-9-17-18-19-20/h1-6,9H,7-8H2,(H,16,21)
InChIKeySSNJOOQOVNQLPN-UHFFFAOYSA-N
XLogP2.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 53369220
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 51087437) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide is O=C(NCCc1ccc(Cl)s1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is SSNJOOQOVNQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c15-13-6-5-12(22-13)7-8-16-14(21)10-1-3-11(4-2-10)20-9-17-18-19-20/h1-6,9H,7-8H2,(H,16,21).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 333.80 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51087437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).