5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide

C20H24N2O4S — CID 86989867

IUPAC5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13-11-17(22-19(23)15-5-6-15)27-18(13)20(24)21-12-14-3-7-16(8-4-14)26-10-9-25-2/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFLYWOPAZFCCCKQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.36
Rot. Bonds9

About 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 86989867) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID86989867
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13-11-17(22-19(23)15-5-6-15)27-18(13)20(24)21-12-14-3-7-16(8-4-14)26-10-9-25-2/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFLYWOPAZFCCCKQ-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86836586
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 24676616
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 24607728
5-(cyclopropanecarbonylamino)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 86930423
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide
CID 126769073
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155938702

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide (CID 86989867) is 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide is COCCOc1ccc(CNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is FLYWOPAZFCCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-11-17(22-19(23)15-5-6-15)27-18(13)20(24)21-12-14-3-7-16(8-4-14)26-10-9-25-2/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86989867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).