N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C19H21FN2OS — CID 124863158

IUPACN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2OS/c20-16-4-2-15(3-5-16)19(7-8-19)18(23)21-12-17(22-9-1-10-22)14-6-11-24-13-14/h2-6,11,13,17H,1,7-10,12H2,(H,21,23)/t17-/m0/s1
InChIKeyQURNNCLHXINIIW-KRWDZBQOSA-N
MW344.45 g/mol
LogP3.48
Rot. Bonds6

About N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 124863158) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID124863158
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC NameN-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2OS/c20-16-4-2-15(3-5-16)19(7-8-19)18(23)21-12-17(22-9-1-10-22)14-6-11-24-13-14/h2-6,11,13,17H,1,7-10,12H2,(H,21,23)/t17-/m0/s1
InChIKeyQURNNCLHXINIIW-KRWDZBQOSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-difluorobenzamide
CID 16931867
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 40847718
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
CID 30521535
2-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931692
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-4-azaspiro[2.4]heptane-4-carboxamide
CID 154870893
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 29237994

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 124863158) is N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NC[C@@H](c1ccsc1)N1CCC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QURNNCLHXINIIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-16-4-2-15(3-5-16)19(7-8-19)18(23)21-12-17(22-9-1-10-22)14-6-11-24-13-14/h2-6,11,13,17H,1,7-10,12H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124863158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).