N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide

C23H25N3O4S2 — CID 122603144

IUPACN-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(C)c(=O)c3cc(C=C4CCN(S(C)(=O)=O)CC4)sc23)c1
InChIInChI=1S/C23H25N3O4S2/c1-15(27)24-18-6-4-5-17(12-18)21-14-25(2)23(28)20-13-19(31-22(20)21)11-16-7-9-26(10-8-16)32(3,29)30/h4-6,11-14H,7-10H2,1-3H3,(H,24,27)
InChIKeyRBBSPXDJIDHADO-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.66
Rot. Bonds4

About N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide

N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide (PubChem CID 122603144) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide
PubChem CID122603144
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(C)c(=O)c3cc(C=C4CCN(S(C)(=O)=O)CC4)sc23)c1
InChIInChI=1S/C23H25N3O4S2/c1-15(27)24-18-6-4-5-17(12-18)21-14-25(2)23(28)20-13-19(31-22(20)21)11-16-7-9-26(10-8-16)32(3,29)30/h4-6,11-14H,7-10H2,1-3H3,(H,24,27)
InChIKeyRBBSPXDJIDHADO-UHFFFAOYSA-N
XLogP3.66
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[7-(3-acetamidophenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-N-hydroxy-N-methylpiperazin-1-amine oxide
CID 126660715
N-[4-[5-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299734
N-[4-[5-methyl-2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662591
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
7-(3-methoxy-2-methylphenyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 74763588
5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-7-[3-(1-phenylethylamino)phenyl]furo[3,2-c]pyridin-4-one
CID 86299513
N-[4-(2,6-dimethylphenoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]acetamide
CID 166875630
N-(3-acetamidophenyl)-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 42534412
1-(3-methylphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]urea
CID 47848806
N-[4-[5-methyl-2-(6-methylsulfonyl-2-propyloctyl)-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 123945284
1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea
CID 169215153
N-[3-[5-(thiomorpholine-4-carbonyl)naphthalen-1-yl]phenyl]acetamide
CID 172664306

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide (CID 122603144) is N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cn(C)c(=O)c3cc(C=C4CCN(S(C)(=O)=O)CC4)sc23)c1.
What is the InChIKey of N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
The InChIKey is RBBSPXDJIDHADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-15(27)24-18-6-4-5-17(12-18)21-14-25(2)23(28)20-13-19(31-22(20)21)11-16-7-9-26(10-8-16)32(3,29)30/h4-6,11-14H,7-10H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-2-[(1-methylsulfonylpiperidin-4-ylidene)methyl]-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]acetamide is sourced from PubChem (CID 122603144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).