N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

C13H17N5O3S — CID 95282708

IUPACN-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1cnnn1
InChIInChI=1S/C13H17N5O3S/c1-10(11-4-6-12(7-5-11)22(3,20)21)17(2)13(19)8-18-9-14-15-16-18/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
InChIKeySKIMLAAFIDAIEF-SNVBAGLBSA-N
MW323.38 g/mol
LogP0.30
Rot. Bonds5

About N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 95282708) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID95282708
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1cnnn1
InChIInChI=1S/C13H17N5O3S/c1-10(11-4-6-12(7-5-11)22(3,20)21)17(2)13(19)8-18-9-14-15-16-18/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
InChIKeySKIMLAAFIDAIEF-SNVBAGLBSA-N
XLogP0.30
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 146124066
N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
CID 115765001
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440529
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125440530
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 95282708) is N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cn1cnnn1.
What is the InChIKey of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is SKIMLAAFIDAIEF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-10(11-4-6-12(7-5-11)22(3,20)21)17(2)13(19)8-18-9-14-15-16-18/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 323.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 95282708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).