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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Related Compounds

5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
5-chloro-3-[cyclohexyl(ethyl)amino]-2-methyl-N-[(2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 70913078
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
N-[(E)-2-carbamoyl-3-(methylamino)-3-pyrrolidin-1-ylprop-2-enyl]-3-[cyclohexyl(ethyl)amino]-5-hydroxy-2-methylbenzamide
CID 130459818
3-[(4-aminocyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 89095835
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365
6-methyl-4-(methylamino)-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 81240074
methyl 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoate
CID 90143714
5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
CID 86275883
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
CID 70904687
3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(4-methyl-2-oxido-3,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-1-yl)methyl]-5-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 118255943

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).