methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate

C24H23ClN2O5S — CID 22133090

IUPACmethyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate
SMILESCCc1cc(C(=O)NCc2ccc(OC)c(Cl)c2)c(NC(=O)c2ccc(C(=O)OC)cc2)s1
InChIInChI=1S/C24H23ClN2O5S/c1-4-17-12-18(22(29)26-13-14-5-10-20(31-2)19(25)11-14)23(33-17)27-21(28)15-6-8-16(9-7-15)24(30)32-3/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQWUQXWVBSGIUQI-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.94
Rot. Bonds8

About methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate

methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate (PubChem CID 22133090) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate
PubChem CID22133090
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Namemethyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate
SMILESCCc1cc(C(=O)NCc2ccc(OC)c(Cl)c2)c(NC(=O)c2ccc(C(=O)OC)cc2)s1
InChIInChI=1S/C24H23ClN2O5S/c1-4-17-12-18(22(29)26-13-14-5-10-20(31-2)19(25)11-14)23(33-17)27-21(28)15-6-8-16(9-7-15)24(30)32-3/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQWUQXWVBSGIUQI-UHFFFAOYSA-N
XLogP4.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate with MolForge

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Related Compounds

methyl 4-[[3-(benzylcarbamoyl)-5-ethylthiophen-2-yl]carbamoyl]benzoate
CID 22133061
4-[[5-chloro-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid
CID 22133040
methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-propylthiophen-2-yl]carbamoyl]benzoate
CID 22133070
2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide
CID 70219372
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
methyl 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate
CID 22133153
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(cyclohexanecarbonylamino)-5-methylthiophene-3-carboxamide
CID 70086267
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate (CID 22133090) is methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate is CCc1cc(C(=O)NCc2ccc(OC)c(Cl)c2)c(NC(=O)c2ccc(C(=O)OC)cc2)s1.
What is the InChIKey of methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate?
The InChIKey is QWUQXWVBSGIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-4-17-12-18(22(29)26-13-14-5-10-20(31-2)19(25)11-14)23(33-17)27-21(28)15-6-8-16(9-7-15)24(30)32-3/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate?
methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate has a molecular weight of 486.98 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate is sourced from PubChem (CID 22133090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).