1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide

C20H18FN3OS — CID 134003334

IUPAC1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H18FN3OS/c1-24-13-12-22-19(24)26-17-8-6-16(7-9-17)23-18(25)20(10-11-20)14-2-4-15(21)5-3-14/h2-9,12-13H,10-11H2,1H3,(H,23,25)
InChIKeySLPNZZWQBNXSIA-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.38
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide (PubChem CID 134003334) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
PubChem CID134003334
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H18FN3OS/c1-24-13-12-22-19(24)26-17-8-6-16(7-9-17)23-18(25)20(10-11-20)14-2-4-15(21)5-3-14/h2-9,12-13H,10-11H2,1H3,(H,23,25)
InChIKeySLPNZZWQBNXSIA-UHFFFAOYSA-N
XLogP4.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide (CID 134003334) is 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide is Cn1ccnc1Sc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
The InChIKey is SLPNZZWQBNXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-24-13-12-22-19(24)26-17-8-6-16(7-9-17)23-18(25)20(10-11-20)14-2-4-15(21)5-3-14/h2-9,12-13H,10-11H2,1H3,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134003334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).