N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide

C20H23N5OS — CID 54535571

IUPACN-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide
SMILESCOc1cccc(N(C)C(=S)CCCCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C20H23N5OS/c1-24(17-11-8-12-18(15-17)26-2)20(27)14-7-6-13-19-21-22-23-25(19)16-9-4-3-5-10-16/h3-5,8-12,15H,6-7,13-14H2,1-2H3
InChIKeyYZNRVPCGCVFCOU-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.85
Rot. Bonds8

About N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide

N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide (PubChem CID 54535571) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide
PubChem CID54535571
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide
SMILESCOc1cccc(N(C)C(=S)CCCCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C20H23N5OS/c1-24(17-11-8-12-18(15-17)26-2)20(27)14-7-6-13-19-21-22-23-25(19)16-9-4-3-5-10-16/h3-5,8-12,15H,6-7,13-14H2,1-2H3
InChIKeyYZNRVPCGCVFCOU-UHFFFAOYSA-N
XLogP3.85
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54406307
N-(4-hydroxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295614
4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54231747
5-butyl-1-phenyltetrazole
CID 69031432
N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-phenyltetrazol-5-yl)butanamide
CID 21295539
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 13203418
N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295331
N,N-dicyclohexyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295615
[1-(4-methoxyphenyl)tetrazol-5-yl]-[2-(1-phenyltetrazol-5-yl)ethoxy]methanol
CID 67826780
2-(3-methoxyphenoxy)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30936275
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide (CID 54535571) is N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide is COc1cccc(N(C)C(=S)CCCCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide?
The InChIKey is YZNRVPCGCVFCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-24(17-11-8-12-18(15-17)26-2)20(27)14-7-6-13-19-21-22-23-25(19)16-9-4-3-5-10-16/h3-5,8-12,15H,6-7,13-14H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide?
N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide has a molecular weight of 381.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanethioamide is sourced from PubChem (CID 54535571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).