N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide

C24H30N2O4S — CID 93171312

About N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide

N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 93171312) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
• PubChem CID: 93171312
• Molecular Formula: C24H30N2O4S
• Molecular Weight: 442.58 g/mol
• Exact Mass: 442.19
• IUPAC Name: N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
• SMILES: COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC1CC1
• InChI: InChI=1S/C24H30N2O4S/c1-17-5-3-4-6-21(17)30-15-20-19-10-12-31-22(19)9-11-26(20)23(27)14-25(13-18-7-8-18)24(28)16-29-2/h3-6,10,12,18,20H,7-9,11,13-16H2,1-2H3/t20-/m1/s1
• InChIKey: NDGRMSJWCHNREN-HXUWFJFHSA-N
• XLogP: 3.45
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.58
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 93171312) is N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)CC1CC1.

What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

The InChIKey is NDGRMSJWCHNREN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-17-5-3-4-6-21(17)30-15-20-19-10-12-31-22(19)9-11-26(20)23(27)14-25(13-18-7-8-18)24(28)16-29-2/h3-6,10,12,18,20H,7-9,11,13-16H2,1-2H3/t20-/m1/s1.

What are the key properties of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 442.58 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 93171312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).