5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

C16H19ClN6O4S — CID 146087102

IUPAC5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1CC1CCCO1
InChIInChI=1S/C16H19ClN6O4S/c1-26-13-5-4-10(17)7-12(13)15(25)19-18-14(24)9-28-16-20-21-22-23(16)8-11-3-2-6-27-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,18,24)(H,19,25)
InChIKeyFULMXZPNYQAQHF-UHFFFAOYSA-N
MW426.89 g/mol
LogP1.07
Rot. Bonds7

About 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (PubChem CID 146087102) has the molecular formula C16H19ClN6O4S and a molecular weight of 426.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
PubChem CID146087102
Molecular FormulaC16H19ClN6O4S
Molecular Weight426.89 g/mol
Exact Mass426.09
IUPAC Name5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1CC1CCCO1
InChIInChI=1S/C16H19ClN6O4S/c1-26-13-5-4-10(17)7-12(13)15(25)19-18-14(24)9-28-16-20-21-22-23(16)8-11-3-2-6-27-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,18,24)(H,19,25)
InChIKeyFULMXZPNYQAQHF-UHFFFAOYSA-N
XLogP1.07
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 94797823
N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259132
1-(3-fluoro-4-methoxyphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 18099029
5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 16539064
N-(2,5-dichlorophenyl)-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 42887779
5-chloro-N'-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxybenzohydrazide
CID 16586344
N-[(4-methoxyphenyl)carbamoyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46640592
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 25466393
N-[2-(4-methoxyphenyl)ethyl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 51561653
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259136
N-(2,6-dimethylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259079
1-[(5-chloro-2-methoxybenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 17373498

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (CID 146087102) is 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1CC1CCCO1.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The InChIKey is FULMXZPNYQAQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O4S/c1-26-13-5-4-10(17)7-12(13)15(25)19-18-14(24)9-28-16-20-21-22-23(16)8-11-3-2-6-27-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,18,24)(H,19,25).
What are the key properties of 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide has a molecular weight of 426.89 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 146087102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).