N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide

C19H24N2O4S2 — CID 8949553

IUPACN-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1
InChIInChI=1S/C19H24N2O4S2/c1-13(12-25-3)20-27(23,24)16-6-4-15(5-7-16)19(22)21-10-8-18-17(14(21)2)9-11-26-18/h4-7,9,11,13-14,20H,8,10,12H2,1-3H3/t13-,14-/m1/s1
InChIKeyVZYYXSKXIIPYOE-ZIAGYGMSSA-N
MW408.55 g/mol
LogP2.82
Rot. Bonds6

About N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide

N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide (PubChem CID 8949553) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
PubChem CID8949553
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1
InChIInChI=1S/C19H24N2O4S2/c1-13(12-25-3)20-27(23,24)16-6-4-15(5-7-16)19(22)21-10-8-18-17(14(21)2)9-11-26-18/h4-7,9,11,13-14,20H,8,10,12H2,1-3H3/t13-,14-/m1/s1
InChIKeyVZYYXSKXIIPYOE-ZIAGYGMSSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 9314889
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-nitrophenyl)methanone
CID 8948751
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 8949501
N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949909
tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate
CID 45352504
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543
3,4-dimethoxy-N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]benzenesulfonamide
CID 55428335
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 32691507

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide (CID 8949553) is N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide is COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The InChIKey is VZYYXSKXIIPYOE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-13(12-25-3)20-27(23,24)16-6-4-15(5-7-16)19(22)21-10-8-18-17(14(21)2)9-11-26-18/h4-7,9,11,13-14,20H,8,10,12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide is sourced from PubChem (CID 8949553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).