N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide

C18H16ClN5OS — CID 75202389

IUPACN-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
SMILESO=C(CCCSc1nnnn1-c1ccccc1)/N=C/c1ccccc1Cl
InChIInChI=1S/C18H16ClN5OS/c19-16-10-5-4-7-14(16)13-20-17(25)11-6-12-26-18-21-22-23-24(18)15-8-2-1-3-9-15/h1-5,7-10,13H,6,11-12H2/b20-13+
InChIKeyIKJWMVJNRLCODD-DEDYPNTBSA-N
MW385.88 g/mol
LogP3.83
Rot. Bonds7

About N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide

N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide (PubChem CID 75202389) has the molecular formula C18H16ClN5OS and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
PubChem CID75202389
Molecular FormulaC18H16ClN5OS
Molecular Weight385.88 g/mol
Exact Mass385.08
IUPAC NameN-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
SMILESO=C(CCCSc1nnnn1-c1ccccc1)/N=C/c1ccccc1Cl
InChIInChI=1S/C18H16ClN5OS/c19-16-10-5-4-7-14(16)13-20-17(25)11-6-12-26-18-21-22-23-24(18)15-8-2-1-3-9-15/h1-5,7-10,13H,6,11-12H2/b20-13+
InChIKeyIKJWMVJNRLCODD-DEDYPNTBSA-N
XLogP3.83
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-nitrophenyl)methylideneamino]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 177375594
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
1-(2-hydroxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731404
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
(2-chlorophenyl)methyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 21216350
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23889543
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
5-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile
CID 60625385
1-(2,4-dimethoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one
CID 2296263

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
The IUPAC name of N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide (CID 75202389) is N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide is O=C(CCCSc1nnnn1-c1ccccc1)/N=C/c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
The InChIKey is IKJWMVJNRLCODD-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H16ClN5OS/c19-16-10-5-4-7-14(16)13-20-17(25)11-6-12-26-18-21-22-23-24(18)15-8-2-1-3-9-15/h1-5,7-10,13H,6,11-12H2/b20-13+.
What are the key properties of N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide?
N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide has a molecular weight of 385.88 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylidene]-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide is sourced from PubChem (CID 75202389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).