(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

C17H21N3O3S — CID 94495320

About (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (PubChem CID 94495320) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
• PubChem CID: 94495320
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
• SMILES: C[C@@H](C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1)S(C)(=O)=O
• InChI: InChI=1S/C17H21N3O3S/c1-12(24(2,22)23)17(21)18-14-7-5-6-13(10-14)15-11-20-9-4-3-8-16(20)19-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,18,21)/t12-/m0/s1
• InChIKey: KRQWRAOBFYAILK-LBPRGKRZSA-N
• XLogP: 2.26
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

The IUPAC name of (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (CID 94495320) is (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.

What is the SMILES notation for (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

The canonical SMILES for (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is C[C@@H](C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1)S(C)(=O)=O.

What is the InChIKey of (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

The InChIKey is KRQWRAOBFYAILK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(24(2,22)23)17(21)18-14-7-5-6-13(10-14)15-11-20-9-4-3-8-16(20)19-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,18,21)/t12-/m0/s1.

What are the key properties of (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 94495320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).