4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide

C18H21F3N6O2S — CID 24621532

IUPAC4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C18H21F3N6O2S/c1-27-17(24-25-26-27)30-10-15(28)22-13-7-5-11(6-8-13)16(29)23-14-4-2-3-12(9-14)18(19,20)21/h5-8,12,14H,2-4,9-10H2,1H3,(H,22,28)(H,23,29)
InChIKeyBOQGHBGNKGDIOT-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.79
Rot. Bonds6

About 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide

4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 24621532) has the molecular formula C18H21F3N6O2S and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID24621532
Molecular FormulaC18H21F3N6O2S
Molecular Weight442.47 g/mol
Exact Mass442.14
IUPAC Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C18H21F3N6O2S/c1-27-17(24-25-26-27)30-10-15(28)22-13-7-5-11(6-8-13)16(29)23-14-4-2-3-12(9-14)18(19,20)21/h5-8,12,14H,2-4,9-10H2,1H3,(H,22,28)(H,23,29)
InChIKeyBOQGHBGNKGDIOT-UHFFFAOYSA-N
XLogP2.79
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide with MolForge

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Related Compounds

N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 124726343
N-cyclopropyl-3-[[4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24610138
N-[cyclopropyl(phenyl)methyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42890430
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 129419863
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-[2-(2,4-dimethylphenoxy)ethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42023980
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24665525
N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3507581

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 24621532) is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide is Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is BOQGHBGNKGDIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2S/c1-27-17(24-25-26-27)30-10-15(28)22-13-7-5-11(6-8-13)16(29)23-14-4-2-3-12(9-14)18(19,20)21/h5-8,12,14H,2-4,9-10H2,1H3,(H,22,28)(H,23,29).
What are the key properties of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 442.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 24621532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).