N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide

C31H38N2O4S — CID 5025969

IUPACN-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(C(C)(C)C)cc2)C(C)C)c(OC)c1
InChIInChI=1S/C31H38N2O4S/c1-20(2)33(30(35)24-13-12-23(36-6)18-26(24)37-7)19-28(34)32-16-14-27-25(15-17-38-27)29(32)21-8-10-22(11-9-21)31(3,4)5/h8-13,15,17-18,20,29H,14,16,19H2,1-7H3
InChIKeyKTNJJACHYQTTOY-UHFFFAOYSA-N
MW534.72 g/mol
LogP6.09
Rot. Bonds7

About N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide

N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide (PubChem CID 5025969) has the molecular formula C31H38N2O4S and a molecular weight of 534.72 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
PubChem CID5025969
Molecular FormulaC31H38N2O4S
Molecular Weight534.72 g/mol
Exact Mass534.26
IUPAC NameN-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(C(C)(C)C)cc2)C(C)C)c(OC)c1
InChIInChI=1S/C31H38N2O4S/c1-20(2)33(30(35)24-13-12-23(36-6)18-26(24)37-7)19-28(34)32-16-14-27-25(15-17-38-27)29(32)21-8-10-22(11-9-21)31(3,4)5/h8-13,15,17-18,20,29H,14,16,19H2,1-7H3
InChIKeyKTNJJACHYQTTOY-UHFFFAOYSA-N
XLogP6.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide with MolForge

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Related Compounds

N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide
CID 4592120
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 4673699
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4562824
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 4688316
N,4-ditert-butyl-N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93110864
4-tert-butyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4316604
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-chloro-N-propan-2-ylpropanamide
CID 42776225
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 3598410
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 4617518
3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4038046
N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 7226428
N-butan-2-yl-2-fluoro-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3925230

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide (CID 5025969) is N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(C(C)(C)C)cc2)C(C)C)c(OC)c1.
What is the InChIKey of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide?
The InChIKey is KTNJJACHYQTTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O4S/c1-20(2)33(30(35)24-13-12-23(36-6)18-26(24)37-7)19-28(34)32-16-14-27-25(15-17-38-27)29(32)21-8-10-22(11-9-21)31(3,4)5/h8-13,15,17-18,20,29H,14,16,19H2,1-7H3.
What are the key properties of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide?
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide has a molecular weight of 534.72 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 5025969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).