N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

C27H28N2O3S — CID 4033117

IUPACN-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2C)C2CC2)cc1
InChIInChI=1S/C27H28N2O3S/c1-18-5-3-4-6-22(18)26-23-14-16-33-24(23)13-15-28(26)25(30)17-29(20-9-10-20)27(31)19-7-11-21(32-2)12-8-19/h3-8,11-12,14,16,20,26H,9-10,13,15,17H2,1-2H3
InChIKeyLXJDLKLXSHQTMB-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.84
Rot. Bonds6

About N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 4033117) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
PubChem CID4033117
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC NameN-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2C)C2CC2)cc1
InChIInChI=1S/C27H28N2O3S/c1-18-5-3-4-6-22(18)26-23-14-16-33-24(23)13-15-28(26)25(30)17-29(20-9-10-20)27(31)19-7-11-21(32-2)12-8-19/h3-8,11-12,14,16,20,26H,9-10,13,15,17H2,1-2H3
InChIKeyLXJDLKLXSHQTMB-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methoxy-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4573840
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methylbenzamide
CID 5003364
4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 4313062
N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 46011295
3,4-dichloro-N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3575697
N-cyclopropyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 3560856
N-cyclopropyl-3-methyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 3560861
N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 5159741
N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 24717999
N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3978580
N-cyclopropyl-N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 7297040
N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 42779476

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 4033117) is N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?
The InChIKey is LXJDLKLXSHQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-18-5-3-4-6-22(18)26-23-14-16-33-24(23)13-15-28(26)25(30)17-29(20-9-10-20)27(31)19-7-11-21(32-2)12-8-19/h3-8,11-12,14,16,20,26H,9-10,13,15,17H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?
N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 460.60 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4033117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).