2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

C14H15N5O3S — CID 99974098

IUPAC2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESO=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H15N5O3S/c20-14(8-11-6-7-23(21,22)10-11)15-9-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,15,20)/t11-/m0/s1
InChIKeyXIFGCJRLRCINSV-NSHDSACASA-N
MW333.37 g/mol
LogP0.23
Rot. Bonds5

About 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (PubChem CID 99974098) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
PubChem CID99974098
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESO=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H15N5O3S/c20-14(8-11-6-7-23(21,22)10-11)15-9-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,15,20)/t11-/m0/s1
InChIKeyXIFGCJRLRCINSV-NSHDSACASA-N
XLogP0.23
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

1,1-dioxo-N-[(1-phenyltetrazol-5-yl)methyl]thiolane-3-carboxamide
CID 119071240
2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 126439740
N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 17495507
2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126453641
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (CID 99974098) is 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The InChIKey is XIFGCJRLRCINSV-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O3S/c20-14(8-11-6-7-23(21,22)10-11)15-9-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,15,20)/t11-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide has a molecular weight of 333.37 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 99974098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).