5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide

C20H24N2O4S — CID 86836586

IUPAC5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(OCCCNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13-12-17(22-19(23)14-4-5-14)27-18(13)20(24)21-10-3-11-26-16-8-6-15(25-2)7-9-16/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIAMACLWZRUXBRV-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.61
Rot. Bonds9

About 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide (PubChem CID 86836586) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
PubChem CID86836586
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(OCCCNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13-12-17(22-19(23)14-4-5-14)27-18(13)20(24)21-10-3-11-26-16-8-6-15(25-2)7-9-16/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIAMACLWZRUXBRV-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 86989867
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
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 24607728
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
CID 55789182
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(4-chlorophenoxy)ethyl]-3-methylthiophene-2-carboxamide
CID 55729508
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide (CID 86836586) is 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide is COc1ccc(OCCCNC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide?
The InChIKey is IAMACLWZRUXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-12-17(22-19(23)14-4-5-14)27-18(13)20(24)21-10-3-11-26-16-8-6-15(25-2)7-9-16/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86836586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).