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

C22H19N5OS — CID 15945232

IUPACN-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19N5OS/c1-16(29-22-24-25-26-27(22)18-12-6-3-7-13-18)21(28)23-20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-16H,1H3,(H,23,28)
InChIKeyAAQUJHWVQUSHRF-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.45
Rot. Bonds6

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

N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 15945232) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID15945232
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC NameN-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19N5OS/c1-16(29-22-24-25-26-27(22)18-12-6-3-7-13-18)21(28)23-20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-16H,1H3,(H,23,28)
InChIKeyAAQUJHWVQUSHRF-UHFFFAOYSA-N
XLogP4.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 2947864
3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
N-{3-[2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 651076
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 652185

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 15945232) is N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is AAQUJHWVQUSHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-16(29-22-24-25-26-27(22)18-12-6-3-7-13-18)21(28)23-20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-16H,1H3,(H,23,28).
What are the key properties of N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 401.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 15945232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).