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

C19H22N2O4S2 — CID 8949909

IUPACN-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H22N2O4S2/c1-12-15-8-10-26-17(15)7-9-21(12)19(22)13-3-6-16(25-2)18(11-13)27(23,24)20-14-4-5-14/h3,6,8,10-12,14,20H,4-5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyCJHWACJUAFYXTC-GFCCVEGCSA-N
MW406.53 g/mol
LogP2.96
Rot. Bonds5

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

N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide (PubChem CID 8949909) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
PubChem CID8949909
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H22N2O4S2/c1-12-15-8-10-26-17(15)7-9-21(12)19(22)13-3-6-16(25-2)18(11-13)27(23,24)20-14-4-5-14/h3,6,8,10-12,14,20H,4-5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyCJHWACJUAFYXTC-GFCCVEGCSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 25407635
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
5-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 27331771
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 42045896
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide (CID 8949909) is N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide is COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The InChIKey is CJHWACJUAFYXTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-12-15-8-10-26-17(15)7-9-21(12)19(22)13-3-6-16(25-2)18(11-13)27(23,24)20-14-4-5-14/h3,6,8,10-12,14,20H,4-5,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide is sourced from PubChem (CID 8949909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).