N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide

C27H32N2O3S2 — CID 3509670

IUPACN-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1CCc2sccc2C1c1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C27H32N2O3S2/c1-6-28(34(31,32)27-20(4)15-18(2)16-21(27)5)17-25(30)29-13-11-24-23(12-14-33-24)26(29)22-10-8-7-9-19(22)3/h7-10,12,14-16,26H,6,11,13,17H2,1-5H3
InChIKeyHTYJXSTUTRKCNZ-UHFFFAOYSA-N
MW496.70 g/mol
LogP5.17
Rot. Bonds6

About N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide

N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 3509670) has the molecular formula C27H32N2O3S2 and a molecular weight of 496.70 g/mol. Its IUPAC name is N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID3509670
Molecular FormulaC27H32N2O3S2
Molecular Weight496.70 g/mol
Exact Mass496.19
IUPAC NameN-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1CCc2sccc2C1c1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C27H32N2O3S2/c1-6-28(34(31,32)27-20(4)15-18(2)16-21(27)5)17-25(30)29-13-11-24-23(12-14-33-24)26(29)22-10-8-7-9-19(22)3/h7-10,12,14-16,26H,6,11,13,17H2,1-5H3
InChIKeyHTYJXSTUTRKCNZ-UHFFFAOYSA-N
XLogP5.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
CID 5116611
1-ethyl-3,3-dimethyl-1-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 3629901
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 5107281
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 4019585
N-(2-methoxyethyl)-2,4,6-trimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
CID 5027708
N-(3-methoxypropyl)-2,4,6-trimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
CID 3284073
N-ethyl-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 7395908
N-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 3965925
4-bromo-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 3544596
2,5-dichloro-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4211815
1-butan-2-yl-3,3-dimethyl-1-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 3984487
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-pentyl-3-(trifluoromethyl)benzenesulfonamide
CID 4598513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide (CID 3509670) is N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide is CCN(CC(=O)N1CCc2sccc2C1c1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is HTYJXSTUTRKCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S2/c1-6-28(34(31,32)27-20(4)15-18(2)16-21(27)5)17-25(30)29-13-11-24-23(12-14-33-24)26(29)22-10-8-7-9-19(22)3/h7-10,12,14-16,26H,6,11,13,17H2,1-5H3.
What are the key properties of N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide?
N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 496.70 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,6-trimethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 3509670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).