2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide

C23H30N2O4S — CID 70219372

IUPAC2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C23H30N2O4S/c1-4-17-13-18(23(30-17)25-21(26)16-8-6-5-7-9-16)22(27)24-14-15-10-11-19(28-2)20(12-15)29-3/h10-13,16H,4-9,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyQXYCAGJGLNRACK-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.78
Rot. Bonds8

About 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide

2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide (PubChem CID 70219372) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide
PubChem CID70219372
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C23H30N2O4S/c1-4-17-13-18(23(30-17)25-21(26)16-8-6-5-7-9-16)22(27)24-14-15-10-11-19(28-2)20(12-15)29-3/h10-13,16H,4-9,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyQXYCAGJGLNRACK-UHFFFAOYSA-N
XLogP4.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-(cyclohexanecarbonylamino)-5-methylthiophene-3-carboxamide
CID 70086267
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate
CID 22133090
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 70088395
carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 70089760
N-[2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111200375
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
CID 55894677
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
1-N-cyclohexyl-2-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132413
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide (CID 70219372) is 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide is CCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(NC(=O)C2CCCCC2)s1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide?
The InChIKey is QXYCAGJGLNRACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-17-13-18(23(30-17)25-21(26)16-8-6-5-7-9-16)22(27)24-14-15-10-11-19(28-2)20(12-15)29-3/h10-13,16H,4-9,14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide?
2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide is sourced from PubChem (CID 70219372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).