3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C22H31N3OS — CID 144734970

IUPAC3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCCc1cc(C(=O)NCc2nccs2)c(C)c(N(CC)C2CCCCC2)c1
InChIInChI=1S/C22H31N3OS/c1-4-17-13-19(22(26)24-15-21-23-11-12-27-21)16(3)20(14-17)25(5-2)18-9-7-6-8-10-18/h11-14,18H,4-10,15H2,1-3H3,(H,24,26)
InChIKeyXVDYJHQMMDAUBO-UHFFFAOYSA-N
MW385.58 g/mol
LogP5.10
Rot. Bonds7

About 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 144734970) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID144734970
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCCc1cc(C(=O)NCc2nccs2)c(C)c(N(CC)C2CCCCC2)c1
InChIInChI=1S/C22H31N3OS/c1-4-17-13-19(22(26)24-15-21-23-11-12-27-21)16(3)20(14-17)25(5-2)18-9-7-6-8-10-18/h11-14,18H,4-10,15H2,1-3H3,(H,24,26)
InChIKeyXVDYJHQMMDAUBO-UHFFFAOYSA-N
XLogP5.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.58
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 144734970) is 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is CCc1cc(C(=O)NCc2nccs2)c(C)c(N(CC)C2CCCCC2)c1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is XVDYJHQMMDAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-4-17-13-19(22(26)24-15-21-23-11-12-27-21)16(3)20(14-17)25(5-2)18-9-7-6-8-10-18/h11-14,18H,4-10,15H2,1-3H3,(H,24,26).
What are the key properties of 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 385.58 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-5-ethyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 144734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).