N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide

C27H32N2O2S — CID 1416890

IUPACN-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide
SMILESCCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C27H32N2O2S/c1-4-23-18-24(27(32-23)28-26(30)22-8-6-5-7-9-22)25(29-14-16-31-17-15-29)21-12-10-20(11-13-21)19(2)3/h5-13,18-19,25H,4,14-17H2,1-3H3,(H,28,30)/t25-/m0/s1
InChIKeyNBFMOKSIUCKOKI-VWLOTQADSA-N
MW448.63 g/mol
LogP6.11
Rot. Bonds7

About N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide

N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide (PubChem CID 1416890) has the molecular formula C27H32N2O2S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide
PubChem CID1416890
Molecular FormulaC27H32N2O2S
Molecular Weight448.63 g/mol
Exact Mass448.22
IUPAC NameN-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide
SMILESCCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C27H32N2O2S/c1-4-23-18-24(27(32-23)28-26(30)22-8-6-5-7-9-22)25(29-14-16-31-17-15-29)21-12-10-20(11-13-21)19(2)3/h5-13,18-19,25H,4,14-17H2,1-3H3,(H,28,30)/t25-/m0/s1
InChIKeyNBFMOKSIUCKOKI-VWLOTQADSA-N
XLogP6.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-ethyl-3-[(4-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
CID 3542310
N-[5-ethyl-3-[(R)-morpholin-4-yl(pyridin-4-yl)methyl]thiophen-2-yl]benzamide
CID 35140651
N-[3-[(S)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 1416884
N-[3-[(R)-(4-ethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 42504511
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]benzamide
CID 2142270
N-[3-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479027
N-[3-[(R)-(3,4-dimethoxyphenyl)-(4-ethylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 1382486
N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740072
N-[3-[(R)-(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-ethylthiophen-2-yl]benzamide
CID 28746863
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479142
ethyl 4-[(R)-(2-benzamido-5-ethylthiophen-3-yl)-(3-fluorophenyl)methyl]piperazine-1-carboxylate
CID 1416904

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide (CID 1416890) is N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide is CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide?
The InChIKey is NBFMOKSIUCKOKI-VWLOTQADSA-N. The full InChI is InChI=1S/C27H32N2O2S/c1-4-23-18-24(27(32-23)28-26(30)22-8-6-5-7-9-22)25(29-14-16-31-17-15-29)21-12-10-20(11-13-21)19(2)3/h5-13,18-19,25H,4,14-17H2,1-3H3,(H,28,30)/t25-/m0/s1.
What are the key properties of N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide?
N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide has a molecular weight of 448.63 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 1416890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).