N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C17H18ClFN2OS — CID 100690800

IUPACN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccsc1)N1CCC1
InChIInChI=1S/C17H18ClFN2OS/c18-14-3-1-4-15(19)13(14)9-17(22)20-10-16(21-6-2-7-21)12-5-8-23-11-12/h1,3-5,8,11,16H,2,6-7,9-10H2,(H,20,22)/t16-/m1/s1
InChIKeyIGXUFTSORDMQHW-MRXNPFEDSA-N
MW352.86 g/mol
LogP3.65
Rot. Bonds6

About N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 100690800) has the molecular formula C17H18ClFN2OS and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID100690800
Molecular FormulaC17H18ClFN2OS
Molecular Weight352.86 g/mol
Exact Mass352.08
IUPAC NameN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccsc1)N1CCC1
InChIInChI=1S/C17H18ClFN2OS/c18-14-3-1-4-15(19)13(14)9-17(22)20-10-16(21-6-2-7-21)12-5-8-23-11-12/h1,3-5,8,11,16H,2,6-7,9-10H2,(H,20,22)/t16-/m1/s1
InChIKeyIGXUFTSORDMQHW-MRXNPFEDSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931619
2-(2-fluorophenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931345
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932218
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 100690800) is N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccsc1)N1CCC1.
What is the InChIKey of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is IGXUFTSORDMQHW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClFN2OS/c18-14-3-1-4-15(19)13(14)9-17(22)20-10-16(21-6-2-7-21)12-5-8-23-11-12/h1,3-5,8,11,16H,2,6-7,9-10H2,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 352.86 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 100690800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).