N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide

C14H12ClN5OS — CID 39735328

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H12ClN5OS/c1-19(8-12-5-6-13(15)22-12)14(21)10-3-2-4-11(7-10)20-9-16-17-18-20/h2-7,9H,8H2,1H3
InChIKeyLPXSOWIVFSDVHV-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.65
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide (PubChem CID 39735328) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
PubChem CID39735328
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H12ClN5OS/c1-19(8-12-5-6-13(15)22-12)14(21)10-3-2-4-11(7-10)20-9-16-17-18-20/h2-7,9H,8H2,1H3
InChIKeyLPXSOWIVFSDVHV-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
N-propan-2-yl-N-(propan-2-ylcarbamoyl)-3-(tetrazol-1-yl)benzamide
CID 39342713
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide (CID 39735328) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide is CN(Cc1ccc(Cl)s1)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is LPXSOWIVFSDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c1-19(8-12-5-6-13(15)22-12)14(21)10-3-2-4-11(7-10)20-9-16-17-18-20/h2-7,9H,8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 333.80 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39735328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).