2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide

C16H13N9OS — CID 1018414

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H13N9OS/c26-15(18-12-6-8-13(9-7-12)24-11-17-20-22-24)10-27-16-19-21-23-25(16)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,26)
InChIKeyZTNUWMUPCOSOKU-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.37
Rot. Bonds6

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1018414) has the molecular formula C16H13N9OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1018414
Molecular FormulaC16H13N9OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H13N9OS/c26-15(18-12-6-8-13(9-7-12)24-11-17-20-22-24)10-27-16-19-21-23-25(16)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,26)
InChIKeyZTNUWMUPCOSOKU-UHFFFAOYSA-N
XLogP1.37
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
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-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4898224
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803
N-(4-Dimethylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 855255
N-(2,6-difluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573208
N-(2,4-difluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660027
N-phenyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660034

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 1018414) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is ZTNUWMUPCOSOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N9OS/c26-15(18-12-6-8-13(9-7-12)24-11-17-20-22-24)10-27-16-19-21-23-25(16)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,26).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1018414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).