1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea

C22H29N3O3S — CID 7337626

IUPAC1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
SMILESCOCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)N(C)C
InChIInChI=1S/C22H29N3O3S/c1-16-7-5-6-8-17(16)21-18-10-14-29-19(18)9-11-25(21)20(26)15-24(12-13-28-4)22(27)23(2)3/h5-8,10,14,21H,9,11-13,15H2,1-4H3/t21-/m1/s1
InChIKeyPNGOJFBIMSMYMR-OAQYLSRUSA-N
MW415.56 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea

1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea (PubChem CID 7337626) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
PubChem CID7337626
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
SMILESCOCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)N(C)C
InChIInChI=1S/C22H29N3O3S/c1-16-7-5-6-8-17(16)21-18-10-14-29-19(18)9-11-25(21)20(26)15-24(12-13-28-4)22(27)23(2)3/h5-8,10,14,21H,9,11-13,15H2,1-4H3/t21-/m1/s1
InChIKeyPNGOJFBIMSMYMR-OAQYLSRUSA-N
XLogP3.16
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea with MolForge

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 7283006
1-ethyl-3,3-dimethyl-1-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 3629901
N-(2-methoxyethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 3548606
1-(3-methoxypropyl)-3,3-dimethyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
CID 5215768
N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbutanamide
CID 7494812
1-butan-2-yl-3,3-dimethyl-1-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 3984487
N-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 3965925
N-ethyl-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 7395908
3-fluoro-N-(3-methoxypropyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3394350
N-butyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]hexanamide
CID 4310031
2-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3963088
N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-pentylnonanamide
CID 98403289

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea (CID 7337626) is 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea is COCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)N(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea?
The InChIKey is PNGOJFBIMSMYMR-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-16-7-5-6-8-17(16)21-18-10-14-29-19(18)9-11-25(21)20(26)15-24(12-13-28-4)22(27)23(2)3/h5-8,10,14,21H,9,11-13,15H2,1-4H3/t21-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea?
1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea has a molecular weight of 415.56 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,3-dimethyl-1-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea is sourced from PubChem (CID 7337626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).