4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide

C21H28N2O2S — CID 54472374

IUPAC4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)Cc2cccs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-22(15-18-7-6-14-26-18)19-8-4-5-9-20(19)23(2)21(24)16-10-12-17(25-3)13-11-16/h6-7,10-14,19-20H,4-5,8-9,15H2,1-3H3/t19-,20-/m1/s1
InChIKeyXJFOPIKWOQRKLE-WOJBJXKFSA-N
MW372.53 g/mol
LogP4.27
Rot. Bonds6

About 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide

4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide (PubChem CID 54472374) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
PubChem CID54472374
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)Cc2cccs2)cc1
InChIInChI=1S/C21H28N2O2S/c1-22(15-18-7-6-14-26-18)19-8-4-5-9-20(19)23(2)21(24)16-10-12-17(25-3)13-11-16/h6-7,10-14,19-20H,4-5,8-9,15H2,1-3H3/t19-,20-/m1/s1
InChIKeyXJFOPIKWOQRKLE-WOJBJXKFSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide
CID 70592604
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 5145973
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 47718655
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide (CID 54472374) is 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide is COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)Cc2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
The InChIKey is XJFOPIKWOQRKLE-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-22(15-18-7-6-14-26-18)19-8-4-5-9-20(19)23(2)21(24)16-10-12-17(25-3)13-11-16/h6-7,10-14,19-20H,4-5,8-9,15H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide has a molecular weight of 372.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 54472374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).