N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide

C32H40N2O6S — CID 3362120

IUPACN-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cccs2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C32H40N2O6S/c1-37-25-13-14-27(29(20-25)39-3)32(36)34(24-9-6-5-7-10-24)22-31(35)33(21-26-11-8-18-41-26)17-16-23-12-15-28(38-2)30(19-23)40-4/h8,11-15,18-20,24H,5-7,9-10,16-17,21-22H2,1-4H3
InChIKeyOMWRXAQEHMFLMW-UHFFFAOYSA-N
MW580.75 g/mol
LogP5.83
Rot. Bonds13

About N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide

N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide (PubChem CID 3362120) has the molecular formula C32H40N2O6S and a molecular weight of 580.75 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide
PubChem CID3362120
Molecular FormulaC32H40N2O6S
Molecular Weight580.75 g/mol
Exact Mass580.26
IUPAC NameN-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cccs2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C32H40N2O6S/c1-37-25-13-14-27(29(20-25)39-3)32(36)34(24-9-6-5-7-10-24)22-31(35)33(21-26-11-8-18-41-26)17-16-23-12-15-28(38-2)30(19-23)40-4/h8,11-15,18-20,24H,5-7,9-10,16-17,21-22H2,1-4H3
InChIKeyOMWRXAQEHMFLMW-UHFFFAOYSA-N
XLogP5.83
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.75
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 3356478
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluorobenzamide
CID 3356481
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 3682572
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 4032294
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]propanamide
CID 3505750
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 4308638
2-[benzylcarbamoyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3583526
3,4-dichloro-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 42665197
3-chloro-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4535647
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4555589
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 3574890
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4037485

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide (CID 3362120) is N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cccs2)C2CCCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide?
The InChIKey is OMWRXAQEHMFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O6S/c1-37-25-13-14-27(29(20-25)39-3)32(36)34(24-9-6-5-7-10-24)22-31(35)33(21-26-11-8-18-41-26)17-16-23-12-15-28(38-2)30(19-23)40-4/h8,11-15,18-20,24H,5-7,9-10,16-17,21-22H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide?
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide has a molecular weight of 580.75 g/mol, XLogP of 5.83, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 3362120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).