5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide

C19H22N2O3S — CID 86822599

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C19H22N2O3S/c1-3-24-11-14-6-4-5-7-15(14)20-19(23)17-12(2)10-16(25-17)21-18(22)13-8-9-13/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRGQHCCINHNLVGD-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.19
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 86822599) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID86822599
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C19H22N2O3S/c1-3-24-11-14-6-4-5-7-15(14)20-19(23)17-12(2)10-16(25-17)21-18(22)13-8-9-13/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRGQHCCINHNLVGD-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 24676616
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
N-[2-(ethoxymethyl)phenyl]-2,4-dimethylbenzamide
CID 86821681
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322
N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86850936
N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 86915687

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide (CID 86822599) is 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide is CCOCc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)cc1C.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is RGQHCCINHNLVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-24-11-14-6-4-5-7-15(14)20-19(23)17-12(2)10-16(25-17)21-18(22)13-8-9-13/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86822599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).