N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C15H19N5O3S — CID 7712979

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C15H19N5O3S/c1-11-3-5-12(6-4-11)14-17-19-20(18-14)9-13(21)16-15(2)7-8-24(22,23)10-15/h3-6H,7-10H2,1-2H3,(H,16,21)/t15-/m1/s1
InChIKeyYQJAAOOSJIFJAR-OAHLLOKOSA-N
MW349.42 g/mol
LogP0.34
Rot. Bonds4

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7712979) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7712979
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C15H19N5O3S/c1-11-3-5-12(6-4-11)14-17-19-20(18-14)9-13(21)16-15(2)7-8-24(22,23)10-15/h3-6H,7-10H2,1-2H3,(H,16,21)/t15-/m1/s1
InChIKeyYQJAAOOSJIFJAR-OAHLLOKOSA-N
XLogP0.34
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide with MolForge

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Related Compounds

2-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34274909
2-(4-formyltriazol-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 66213601
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42983882
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78824473
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8640556
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
3-(5-ethyltetrazol-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)benzamide
CID 122640785
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 7712979) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2)cc1.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is YQJAAOOSJIFJAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-11-3-5-12(6-4-11)14-17-19-20(18-14)9-13(21)16-15(2)7-8-24(22,23)10-15/h3-6H,7-10H2,1-2H3,(H,16,21)/t15-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7712979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).