N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C14H16F3N5O3S — CID 71580292

IUPACN-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C)c1nnnn1C
InChIInChI=1S/C14H16F3N5O3S/c1-5-22(13-18-19-20-21(13)3)12(23)9-6-7-10(14(15,16)17)11(8(9)2)26(4,24)25/h6-7H,5H2,1-4H3
InChIKeyYDRMEPLWIFECTB-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.61
Rot. Bonds4

About N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 71580292) has the molecular formula C14H16F3N5O3S and a molecular weight of 391.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID71580292
Molecular FormulaC14H16F3N5O3S
Molecular Weight391.38 g/mol
Exact Mass391.09
IUPAC NameN-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C)c1nnnn1C
InChIInChI=1S/C14H16F3N5O3S/c1-5-22(13-18-19-20-21(13)3)12(23)9-6-7-10(14(15,16)17)11(8(9)2)26(4,24)25/h6-7H,5H2,1-4H3
InChIKeyYDRMEPLWIFECTB-UHFFFAOYSA-N
XLogP1.61
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 71813020
2-methyl-3-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 60202789
Sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide
CID 71813019
2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 90211636
N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 90211638
[2-Methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)carbamic acid
CID 117738972
2-methyl-3-methylsulfonyl-4-trifluorometyl-N-(1-propyltetrazol-5-yl)benzamide
CID 118162376
2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368617
4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118491510
N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide
CID 118491522
3-ethoxysulfanyl-2-ethyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639410
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 71580292) is N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CCN(C(=O)c1ccc(C(F)(F)F)c(S(C)(=O)=O)c1C)c1nnnn1C.
What is the InChIKey of N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is YDRMEPLWIFECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3S/c1-5-22(13-18-19-20-21(13)3)12(23)9-6-7-10(14(15,16)17)11(8(9)2)26(4,24)25/h6-7H,5H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 391.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71580292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).