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

C22H24Cl2N2O2S — CID 3270817

IUPACN-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C22H24Cl2N2O2S/c1-13(2)22(28)26(15-4-5-15)12-20(27)25-9-7-19-17(8-10-29-19)21(25)16-6-3-14(23)11-18(16)24/h3,6,8,10-11,13,15,21H,4-5,7,9,12H2,1-2H3
InChIKeyJVCMKFJARDVVPJ-UHFFFAOYSA-N
MW451.42 g/mol
LogP5.18
Rot. Bonds5

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

N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 3270817) has the molecular formula C22H24Cl2N2O2S and a molecular weight of 451.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
PubChem CID3270817
Molecular FormulaC22H24Cl2N2O2S
Molecular Weight451.42 g/mol
Exact Mass450.09
IUPAC NameN-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C22H24Cl2N2O2S/c1-13(2)22(28)26(15-4-5-15)12-20(27)25-9-7-19-17(8-10-29-19)21(25)16-6-3-14(23)11-18(16)24/h3,6,8,10-11,13,15,21H,4-5,7,9,12H2,1-2H3
InChIKeyJVCMKFJARDVVPJ-UHFFFAOYSA-N
XLogP5.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 92950806
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 3978669
2-chloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylpropanamide
CID 3448947
1-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 3880964
N-cyclopropyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 4544921
N-butan-2-yl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 4269799
N-butan-2-yl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4016817
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 4255191
N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 3933396
N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
CID 5204695
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)cyclopropanecarboxamide
CID 3575696
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 3666557

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide (CID 3270817) is N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is JVCMKFJARDVVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2S/c1-13(2)22(28)26(15-4-5-15)12-20(27)25-9-7-19-17(8-10-29-19)21(25)16-6-3-14(23)11-18(16)24/h3,6,8,10-11,13,15,21H,4-5,7,9,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 451.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 3270817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).