N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide

C16H16ClN5O2S — CID 51174124

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)c1
InChIInChI=1S/C16H16ClN5O2S/c1-21(9-13-6-7-14(17)25-13)15(23)10-22-19-16(18-20-22)11-4-3-5-12(8-11)24-2/h3-8H,9-10H2,1-2H3
InChIKeyIFAWYJFOJMMKQY-UHFFFAOYSA-N
MW377.86 g/mol
LogP2.72
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (PubChem CID 51174124) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
PubChem CID51174124
Molecular FormulaC16H16ClN5O2S
Molecular Weight377.86 g/mol
Exact Mass377.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)c1
InChIInChI=1S/C16H16ClN5O2S/c1-21(9-13-6-7-14(17)25-13)15(23)10-22-19-16(18-20-22)11-4-3-5-12(8-11)24-2/h3-8H,9-10H2,1-2H3
InChIKeyIFAWYJFOJMMKQY-UHFFFAOYSA-N
XLogP2.72
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 17446112
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 31129926
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 46978123
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7490642
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 51132746
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8787145

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (CID 51174124) is N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is COc1cccc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The InChIKey is IFAWYJFOJMMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c1-21(9-13-6-7-14(17)25-13)15(23)10-22-19-16(18-20-22)11-4-3-5-12(8-11)24-2/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide has a molecular weight of 377.86 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 51174124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).