1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea

C20H17ClN6OS — CID 5275142

IUPAC1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea
SMILESO=C(NCCSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C20H17ClN6OS/c21-16-9-3-4-10-17(16)23-19(28)22-12-13-29-20-24-25-26-27(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H2,22,23,28)
InChIKeyNVLYWNYTPTVALB-UHFFFAOYSA-N
MW424.92 g/mol
LogP4.38
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea

1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea (PubChem CID 5275142) has the molecular formula C20H17ClN6OS and a molecular weight of 424.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea
PubChem CID5275142
Molecular FormulaC20H17ClN6OS
Molecular Weight424.92 g/mol
Exact Mass424.09
IUPAC Name1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea
SMILESO=C(NCCSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C20H17ClN6OS/c21-16-9-3-4-10-17(16)23-19(28)22-12-13-29-20-24-25-26-27(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H2,22,23,28)
InChIKeyNVLYWNYTPTVALB-UHFFFAOYSA-N
XLogP4.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-{[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1251070
N-Cyclopentyl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 3228993
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 15945309
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4124628
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4880383
2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-N-phenyl-acetamide
CID 2265468
N-(2,3-dimethylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 1040711
2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-N-(o-tolyl)acetamide
CID 5275068
N-(2,4-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275096
1-(2-Chloroanilino)-3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propan-2-ol
CID 5275138
N-(2-chlorophenyl)-2-[1-(2-isopropylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11501946

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea (CID 5275142) is 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea is O=C(NCCSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea?
The InChIKey is NVLYWNYTPTVALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6OS/c21-16-9-3-4-10-17(16)23-19(28)22-12-13-29-20-24-25-26-27(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H2,22,23,28).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea?
1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea has a molecular weight of 424.92 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]urea is sourced from PubChem (CID 5275142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).