N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide

C22H22N2O4S2 — CID 26540145

IUPACN-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1NC(C)=O
InChIInChI=1S/C22H22N2O4S2/c1-15(25)23-19-14-17(8-9-20(19)28-2)30(26,27)24-12-10-21-18(11-13-29-21)22(24)16-6-4-3-5-7-16/h3-9,11,13-14,22H,10,12H2,1-2H3,(H,23,25)/t22-/m1/s1
InChIKeyUNIQOWSVIVOVHU-JOCHJYFZSA-N
MW442.56 g/mol
LogP4.05
Rot. Bonds5

About N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide

N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide (PubChem CID 26540145) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
PubChem CID26540145
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1NC(C)=O
InChIInChI=1S/C22H22N2O4S2/c1-15(25)23-19-14-17(8-9-20(19)28-2)30(26,27)24-12-10-21-18(11-13-29-21)22(24)16-6-4-3-5-7-16/h3-9,11,13-14,22H,10,12H2,1-2H3,(H,23,25)/t22-/m1/s1
InChIKeyUNIQOWSVIVOVHU-JOCHJYFZSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methyl-5-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55508346
(4R)-5-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 41187095
(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 95933696
(4-methoxy-3-nitrophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245823
3-(2-methoxyphenyl)-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-propan-2-ylurea
CID 3347520
5-(2-nitrophenyl)sulfonyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 42888748
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
methyl 5-(4-bromophenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565449
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 66291596
methyl (2S,3aR,7aS)-1-(3-acetamido-4-methoxyphenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 98681310
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide (CID 26540145) is N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide is COc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The InChIKey is UNIQOWSVIVOVHU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-15(25)23-19-14-17(8-9-20(19)28-2)30(26,27)24-12-10-21-18(11-13-29-21)22(24)16-6-4-3-5-7-16/h3-9,11,13-14,22H,10,12H2,1-2H3,(H,23,25)/t22-/m1/s1.
What are the key properties of N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 26540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).