N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide

C27H26Cl2N2O2S — CID 3252995

IUPACN-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C27H26Cl2N2O2S/c1-2-30(27(33)22-15-21(22)17-6-4-3-5-7-17)16-25(32)31-12-10-24-20(11-13-34-24)26(31)19-9-8-18(28)14-23(19)29/h3-9,11,13-14,21-22,26H,2,10,12,15-16H2,1H3
InChIKeyMUORWKDPOUDHQD-UHFFFAOYSA-N
MW513.49 g/mol
LogP6.18
Rot. Bonds6

About N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide

N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 3252995) has the molecular formula C27H26Cl2N2O2S and a molecular weight of 513.49 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide
PubChem CID3252995
Molecular FormulaC27H26Cl2N2O2S
Molecular Weight513.49 g/mol
Exact Mass512.11
IUPAC NameN-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C27H26Cl2N2O2S/c1-2-30(27(33)22-15-21(22)17-6-4-3-5-7-17)16-25(32)31-12-10-24-20(11-13-34-24)26(31)19-9-8-18(28)14-23(19)29/h3-9,11,13-14,21-22,26H,2,10,12,15-16H2,1H3
InChIKeyMUORWKDPOUDHQD-UHFFFAOYSA-N
XLogP6.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.49
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
CID 3558562
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 3252684
N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4598511
1-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 3880964
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 3921440
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-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 4667626
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]-2-methylpropanamide
CID 3270817
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-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide (CID 3252995) is N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide is CCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)C(=O)C1CC1c1ccccc1.
What is the InChIKey of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MUORWKDPOUDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O2S/c1-2-30(27(33)22-15-21(22)17-6-4-3-5-7-17)16-25(32)31-12-10-24-20(11-13-34-24)26(31)19-9-8-18(28)14-23(19)29/h3-9,11,13-14,21-22,26H,2,10,12,15-16H2,1H3.
What are the key properties of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide?
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 513.49 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3252995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).