N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide

C30H32N2O3S2 — CID 4216967

IUPACN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C30H32N2O3S2/c1-21(2)19-31(37(34,35)28-10-6-8-23-7-4-5-9-25(23)28)20-29(33)32-17-15-27-26(16-18-36-27)30(32)24-13-11-22(3)12-14-24/h4-14,16,18,21,30H,15,17,19-20H2,1-3H3
InChIKeyGELWCFKZMPDQPL-UHFFFAOYSA-N
MW532.73 g/mol
LogP6.03
Rot. Bonds7

About N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide (PubChem CID 4216967) has the molecular formula C30H32N2O3S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
PubChem CID4216967
Molecular FormulaC30H32N2O3S2
Molecular Weight532.73 g/mol
Exact Mass532.19
IUPAC NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C30H32N2O3S2/c1-21(2)19-31(37(34,35)28-10-6-8-23-7-4-5-9-25(23)28)20-29(33)32-17-15-27-26(16-18-36-27)30(32)24-13-11-22(3)12-14-24/h4-14,16,18,21,30H,15,17,19-20H2,1-3H3
InChIKeyGELWCFKZMPDQPL-UHFFFAOYSA-N
XLogP6.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
CID 3927764
4-bromo-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4045852
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylnaphthalene-1-sulfonamide
CID 3929561
N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylnaphthalene-1-sulfonamide
CID 98183042
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-sulfonamide
CID 3965072
N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide
CID 92516408
N-[(2R)-butan-2-yl]-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide
CID 98373619
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-[4-[2-methylpropyl-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 4311405
N-[2-[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 98416176
N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
CID 3924106
2-methoxy-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42776199

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide (CID 4216967) is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide is Cc1ccc(C2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
The InChIKey is GELWCFKZMPDQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3S2/c1-21(2)19-31(37(34,35)28-10-6-8-23-7-4-5-9-25(23)28)20-29(33)32-17-15-27-26(16-18-36-27)30(32)24-13-11-22(3)12-14-24/h4-14,16,18,21,30H,15,17,19-20H2,1-3H3.
What are the key properties of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide?
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide has a molecular weight of 532.73 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 4216967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).