5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide

C24H26N2O4S — CID 998792

IUPAC5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1OCC
InChIInChI=1S/C24H26N2O4S/c1-3-29-20-11-10-17(13-21(20)30-4-2)14-22(27)26-24-19(23(25)28)15-18(31-24)12-16-8-6-5-7-9-16/h5-11,13,15H,3-4,12,14H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyZIXIHIMMEWWUDN-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.42
Rot. Bonds10

About 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide

5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 998792) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID998792
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1OCC
InChIInChI=1S/C24H26N2O4S/c1-3-29-20-11-10-17(13-21(20)30-4-2)14-22(27)26-24-19(23(25)28)15-18(31-24)12-16-8-6-5-7-9-16/h5-11,13,15H,3-4,12,14H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyZIXIHIMMEWWUDN-UHFFFAOYSA-N
XLogP4.42
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Flt-3 inhibitor
CID 1048845
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
ethyl 5-acetyl-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
CID 1181173
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
5-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(cyclopropanecarboxamido)-4-methylthiophene-3-carboxamide
CID 7095929
(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1181875
Methyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}-4-(1-naphthyl)thiophene-3-carboxylate
CID 1748426
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855299
N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20855303

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide (CID 998792) is 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide is CCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1OCC.
What is the InChIKey of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is ZIXIHIMMEWWUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-29-20-11-10-17(13-21(20)30-4-2)14-22(27)26-24-19(23(25)28)15-18(31-24)12-16-8-6-5-7-9-16/h5-11,13,15H,3-4,12,14H2,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide?
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 998792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).