N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide

C30H30N2O2S — CID 93110364

IUPACN-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide
SMILESCCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C30H30N2O2S/c1-2-3-18-31(30(34)25-15-9-13-22-10-7-8-14-24(22)25)21-28(33)32-19-16-27-26(17-20-35-27)29(32)23-11-5-4-6-12-23/h4-15,17,20,29H,2-3,16,18-19,21H2,1H3/t29-/m1/s1
InChIKeyWFRUKYAMLFPJJU-GDLZYMKVSA-N
MW482.65 g/mol
LogP6.32
Rot. Bonds7

About N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide

N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 93110364) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide
PubChem CID93110364
Molecular FormulaC30H30N2O2S
Molecular Weight482.65 g/mol
Exact Mass482.20
IUPAC NameN-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide
SMILESCCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C30H30N2O2S/c1-2-3-18-31(30(34)25-15-9-13-22-10-7-8-14-24(22)25)21-28(33)32-19-16-27-26(17-20-35-27)29(32)23-11-5-4-6-12-23/h4-15,17,20,29H,2-3,16,18-19,21H2,1H3/t29-/m1/s1
InChIKeyWFRUKYAMLFPJJU-GDLZYMKVSA-N
XLogP6.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylbenzamide
CID 4695601
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]hexanamide
CID 7237908
N-butyl-3,5-dichloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 4261618
N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylbenzamide
CID 7348085
N-butyl-3-methyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
CID 7218414
N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 7288938
N-(3-ethoxypropyl)-2-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 4258778
N-butyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 4013992
2-chloro-N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 42773723
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
CID 3927764
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide
CID 7396559
N-(3-ethoxypropyl)-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
CID 7412345

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide (CID 93110364) is N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide is CCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is WFRUKYAMLFPJJU-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H30N2O2S/c1-2-3-18-31(30(34)25-15-9-13-22-10-7-8-14-24(22)25)21-28(33)32-19-16-27-26(17-20-35-27)29(32)23-11-5-4-6-12-23/h4-15,17,20,29H,2-3,16,18-19,21H2,1H3/t29-/m1/s1.
What are the key properties of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide?
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93110364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).