N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C16H15N5OS — CID 16554607

IUPACN-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5OS/c1-12(15(22)17-13-8-4-2-5-9-13)23-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,22)
InChIKeyCYNKRHZDXVDIRS-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.78
Rot. Bonds5

About N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 16554607) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID16554607
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5OS/c1-12(15(22)17-13-8-4-2-5-9-13)23-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,22)
InChIKeyCYNKRHZDXVDIRS-UHFFFAOYSA-N
XLogP2.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
Stk291648
CID 4424052
3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
1,3-Bis[(1-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 1964780
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 16554607) is N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is CYNKRHZDXVDIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-12(15(22)17-13-8-4-2-5-9-13)23-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,22).
What are the key properties of N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 325.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 16554607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).