N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide

C18H23N5O4S2 — CID 41132958

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nnnn1C[C@@H]1CCCO1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N5O4S2/c24-17(12-28-18-19-20-21-22(18)11-16-7-4-9-27-16)23(14-5-2-1-3-6-14)15-8-10-29(25,26)13-15/h1-3,5-6,15-16H,4,7-13H2/t15-,16+/m1/s1
InChIKeyUQSQAVPPWJKSND-CVEARBPZSA-N
MW437.55 g/mol
LogP1.16
Rot. Bonds7

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide (PubChem CID 41132958) has the molecular formula C18H23N5O4S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide
PubChem CID41132958
Molecular FormulaC18H23N5O4S2
Molecular Weight437.55 g/mol
Exact Mass437.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nnnn1C[C@@H]1CCCO1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N5O4S2/c24-17(12-28-18-19-20-21-22(18)11-16-7-4-9-27-16)23(14-5-2-1-3-6-14)15-8-10-29(25,26)13-15/h1-3,5-6,15-16H,4,7-13H2/t15-,16+/m1/s1
InChIKeyUQSQAVPPWJKSND-CVEARBPZSA-N
XLogP1.16
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 41242786
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 41242784
N-benzhydryl-N-methyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46672976
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8724232
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8724233
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
CID 9450800
N-methyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51259223
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 24653172
N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7376530
2-[[5-[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30399565
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-fluorophenyl)sulfanyl-N-phenylacetamide
CID 7964653
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2464537

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide (CID 41132958) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide is O=C(CSc1nnnn1C[C@@H]1CCCO1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The InChIKey is UQSQAVPPWJKSND-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N5O4S2/c24-17(12-28-18-19-20-21-22(18)11-16-7-4-9-27-16)23(14-5-2-1-3-6-14)15-8-10-29(25,26)13-15/h1-3,5-6,15-16H,4,7-13H2/t15-,16+/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide has a molecular weight of 437.55 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 41132958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).