N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide

C18H25N5O2S — CID 88771662

IUPACN-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide
SMILESCN(C(=O)CCCSC1(c2ccc(O)cc2)N=NN=N1)C1CCCCC1
InChIInChI=1S/C18H25N5O2S/c1-23(15-6-3-2-4-7-15)17(25)8-5-13-26-18(19-21-22-20-18)14-9-11-16(24)12-10-14/h9-12,15,24H,2-8,13H2,1H3
InChIKeyIWZWSYVBXWZWQW-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.64
Rot. Bonds7

About N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide

N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide (PubChem CID 88771662) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide
PubChem CID88771662
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide
SMILESCN(C(=O)CCCSC1(c2ccc(O)cc2)N=NN=N1)C1CCCCC1
InChIInChI=1S/C18H25N5O2S/c1-23(15-6-3-2-4-7-15)17(25)8-5-13-26-18(19-21-22-20-18)14-9-11-16(24)12-10-14/h9-12,15,24H,2-8,13H2,1H3
InChIKeyIWZWSYVBXWZWQW-UHFFFAOYSA-N
XLogP4.64
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 3042628
CID 3042628
CID 3042639
CID 3042639
CID 71696917
CID 71696917
CID 3843484
CID 3843484
CID 4598218
CID 4598218
CID 46233829
CID 46233829
CID 46236026
CID 46236026
CID 46236203
CID 46236203
CID 66679655
CID 66679655
CID 88332403
CID 88332403
CID 88332404
CID 88332404
CID 88333248
CID 88333248

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide?
The IUPAC name of N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide (CID 88771662) is N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide?
The canonical SMILES for N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide is CN(C(=O)CCCSC1(c2ccc(O)cc2)N=NN=N1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide?
The InChIKey is IWZWSYVBXWZWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-23(15-6-3-2-4-7-15)17(25)8-5-13-26-18(19-21-22-20-18)14-9-11-16(24)12-10-14/h9-12,15,24H,2-8,13H2,1H3.
What are the key properties of N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide?
N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide has a molecular weight of 375.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylbutanamide is sourced from PubChem (CID 88771662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).