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

C19H21FN2O3S — CID 86866426

IUPAC5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-12-11-16(22-18(23)13-3-4-13)26-17(12)19(24)21-9-2-10-25-15-7-5-14(20)6-8-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyZNXYIEFQICWKOK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.74
Rot. Bonds8

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

5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide (PubChem CID 86866426) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
PubChem CID86866426
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-12-11-16(22-18(23)13-3-4-13)26-17(12)19(24)21-9-2-10-25-15-7-5-14(20)6-8-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyZNXYIEFQICWKOK-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[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-[(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
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
5-(cyclopropanecarbonylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 24607728
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide (CID 86866426) is 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCCOc1ccc(F)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide?
The InChIKey is ZNXYIEFQICWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-12-11-16(22-18(23)13-3-4-13)26-17(12)19(24)21-9-2-10-25-15-7-5-14(20)6-8-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 86866426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).