3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide

C17H16ClN5OS — CID 4584339

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5OS/c1-12-4-2-3-5-15(12)19-16(24)10-11-25-17-20-21-22-23(17)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyDSETWGKKHYATMZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.75
Rot. Bonds6

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide

3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide (PubChem CID 4584339) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
PubChem CID4584339
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5OS/c1-12-4-2-3-5-15(12)19-16(24)10-11-25-17-20-21-22-23(17)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,24)
InChIKeyDSETWGKKHYATMZ-UHFFFAOYSA-N
XLogP3.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 46683632
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide
CID 4674077
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23889543
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
CID 46606064

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide (CID 4584339) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide?
The InChIKey is DSETWGKKHYATMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-12-4-2-3-5-15(12)19-16(24)10-11-25-17-20-21-22-23(17)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,24).
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide?
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide has a molecular weight of 373.87 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 4584339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).