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

C30H35FN2O4S — CID 3682572

IUPACN-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCOc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)cc1OC
InChIInChI=1S/C30H35FN2O4S/c1-36-27-15-10-22(19-28(27)37-2)16-17-32(20-26-9-6-18-38-26)29(34)21-33(25-7-4-3-5-8-25)30(35)23-11-13-24(31)14-12-23/h6,9-15,18-19,25H,3-5,7-8,16-17,20-21H2,1-2H3
InChIKeyHVQMVLYEHNCMCT-UHFFFAOYSA-N
MW538.69 g/mol
LogP5.95
Rot. Bonds11

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

N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 3682572) has the molecular formula C30H35FN2O4S and a molecular weight of 538.69 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID3682572
Molecular FormulaC30H35FN2O4S
Molecular Weight538.69 g/mol
Exact Mass538.23
IUPAC NameN-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCOc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)cc1OC
InChIInChI=1S/C30H35FN2O4S/c1-36-27-15-10-22(19-28(27)37-2)16-17-32(20-26-9-6-18-38-26)29(34)21-33(25-7-4-3-5-8-25)30(35)23-11-13-24(31)14-12-23/h6,9-15,18-19,25H,3-5,7-8,16-17,20-21H2,1-2H3
InChIKeyHVQMVLYEHNCMCT-UHFFFAOYSA-N
XLogP5.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-fluorobenzamide
CID 3356478
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide
CID 3362120
3,4-dichloro-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 42665197
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4555589
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 3671558
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]propanamide
CID 3505750
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]-2-methylpropanamide
CID 4308638
2-[benzylcarbamoyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3583526
N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4525684

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide (CID 3682572) is N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide is COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is HVQMVLYEHNCMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O4S/c1-36-27-15-10-22(19-28(27)37-2)16-17-32(20-26-9-6-18-38-26)29(34)21-33(25-7-4-3-5-8-25)30(35)23-11-13-24(31)14-12-23/h6,9-15,18-19,25H,3-5,7-8,16-17,20-21H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide?
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 538.69 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 5 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]-4-fluorobenzamide is sourced from PubChem (CID 3682572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).