N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide

C15H15N5OS2 — CID 38682016

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCSc1nnnn1-c1cccc(NC(=O)CCc2cccs2)c1
InChIInChI=1S/C15H15N5OS2/c1-22-15-17-18-19-20(15)12-5-2-4-11(10-12)16-14(21)8-7-13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,16,21)
InChIKeyUQKSCTCCDLQYAK-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.02
Rot. Bonds6

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 38682016) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID38682016
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCSc1nnnn1-c1cccc(NC(=O)CCc2cccs2)c1
InChIInChI=1S/C15H15N5OS2/c1-22-15-17-18-19-20(15)12-5-2-4-11(10-12)16-14(21)8-7-13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,16,21)
InChIKeyUQKSCTCCDLQYAK-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide
CID 55609222
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 38682339
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55609154
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55609183
4-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122078184
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide (CID 38682016) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide is CSc1nnnn1-c1cccc(NC(=O)CCc2cccs2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is UQKSCTCCDLQYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-22-15-17-18-19-20(15)12-5-2-4-11(10-12)16-14(21)8-7-13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,16,21).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 38682016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).