N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide

C17H19ClN2OS — CID 124761077

IUPACN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NC[C@H](c1ccsc1)N1CCC1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-2-1-4-13(15)10-17(21)19-11-16(20-7-3-8-20)14-6-9-22-12-14/h1-2,4-6,9,12,16H,3,7-8,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyVDUWVJHYEUPYSN-MRXNPFEDSA-N
MW334.87 g/mol
LogP3.51
Rot. Bonds6

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

N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide (PubChem CID 124761077) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
PubChem CID124761077
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NC[C@H](c1ccsc1)N1CCC1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-2-1-4-13(15)10-17(21)19-11-16(20-7-3-8-20)14-6-9-22-12-14/h1-2,4-6,9,12,16H,3,7-8,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyVDUWVJHYEUPYSN-MRXNPFEDSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932218
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 100690800
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide (CID 124761077) is N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)NC[C@H](c1ccsc1)N1CCC1.
What is the InChIKey of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is VDUWVJHYEUPYSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-15-5-2-1-4-13(15)10-17(21)19-11-16(20-7-3-8-20)14-6-9-22-12-14/h1-2,4-6,9,12,16H,3,7-8,10-11H2,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide?
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 334.87 g/mol, XLogP of 3.51, 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-chlorophenyl)acetamide is sourced from PubChem (CID 124761077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).