N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C17H25N5O2S — CID 8793085

IUPACN,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCCCN(CCCC)C(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C17H25N5O2S/c1-3-5-11-21(12-6-4-2)16(24)13-25-17-18-19-20-22(17)14-7-9-15(23)10-8-14/h7-10,23H,3-6,11-13H2,1-2H3
InChIKeyDHAUXFHQHDKDBW-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.89
Rot. Bonds10

About N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8793085) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8793085
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCCCN(CCCC)C(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C17H25N5O2S/c1-3-5-11-21(12-6-4-2)16(24)13-25-17-18-19-20-22(17)14-7-9-15(23)10-8-14/h7-10,23H,3-6,11-13H2,1-2H3
InChIKeyDHAUXFHQHDKDBW-UHFFFAOYSA-N
XLogP2.89
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 5022235
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9073543
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
N-(cyclopropylmethyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 2108077
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 858457
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7474216
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 25337755
1-(4-bromophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 4814776

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8793085) is N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCCCN(CCCC)C(=O)CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is DHAUXFHQHDKDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-3-5-11-21(12-6-4-2)16(24)13-25-17-18-19-20-22(17)14-7-9-15(23)10-8-14/h7-10,23H,3-6,11-13H2,1-2H3.
What are the key properties of N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 363.49 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8793085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).