N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

C14H19N5O3S — CID 6491357

IUPACN,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCCN(CC)C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-4-18(5-2)13(20)10-19-16-14(15-17-19)11-6-8-12(9-7-11)23(3,21)22/h6-9H,4-5,10H2,1-3H3
InChIKeyPLWFNWIGWNVIJJ-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.61
Rot. Bonds6

About N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (PubChem CID 6491357) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
PubChem CID6491357
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCCN(CC)C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H19N5O3S/c1-4-18(5-2)13(20)10-19-16-14(15-17-19)11-6-8-12(9-7-11)23(3,21)22/h6-9H,4-5,10H2,1-3H3
InChIKeyPLWFNWIGWNVIJJ-UHFFFAOYSA-N
XLogP0.61
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6484449
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[2-methoxyethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetic acid
CID 119348011
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-benzyl-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-ethylacetamide
CID 8794570
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8509816
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (CID 6491357) is N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is CCN(CC)C(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is PLWFNWIGWNVIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-4-18(5-2)13(20)10-19-16-14(15-17-19)11-6-8-12(9-7-11)23(3,21)22/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 6491357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).