N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide

C16H15N5O2S2 — CID 36987490

IUPACN-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnnn2Cc2cccs2)cc1
InChIInChI=1S/C16H15N5O2S2/c1-11(22)17-13-6-4-12(5-7-13)15(23)10-25-16-18-19-20-21(16)9-14-3-2-8-24-14/h2-8H,9-10H2,1H3,(H,17,22)
InChIKeyNMAQQRZULDYWNR-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.72
Rot. Bonds7

About N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide

N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide (PubChem CID 36987490) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
PubChem CID36987490
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC NameN-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnnn2Cc2cccs2)cc1
InChIInChI=1S/C16H15N5O2S2/c1-11(22)17-13-6-4-12(5-7-13)15(23)10-25-16-18-19-20-21(16)9-14-3-2-8-24-14/h2-8H,9-10H2,1H3,(H,17,22)
InChIKeyNMAQQRZULDYWNR-UHFFFAOYSA-N
XLogP2.72
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 17394088
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
1-(2,5-dimethylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987470
1-(2,3,4,5-tetramethylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987883
N-[(3,4-dimethylphenyl)carbamoyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 24522419
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873
4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 46639713
N-(propan-2-ylcarbamoyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987439
(2S)-N-(4-methylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41182860
N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244515
1-(2,5-dimethoxyphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 36987961
(2R)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 36987635

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide (CID 36987490) is N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnnn2Cc2cccs2)cc1.
What is the InChIKey of N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
The InChIKey is NMAQQRZULDYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c1-11(22)17-13-6-4-12(5-7-13)15(23)10-25-16-18-19-20-21(16)9-14-3-2-8-24-14/h2-8H,9-10H2,1H3,(H,17,22).
What are the key properties of N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide?
N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 36987490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).