5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide

C25H25N3O3S — CID 154806999

IUPAC5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C25H25N3O3S/c1-16-21(18-7-3-2-4-8-18)22(23(26)30)25(32-16)27-24(31)19-12-10-17(11-13-19)15-28-14-6-5-9-20(28)29/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3,(H2,26,30)(H,27,31)
InChIKeyGEUVOUFUOBSEAL-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.59
Rot. Bonds6

About 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide

5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide (PubChem CID 154806999) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide
PubChem CID154806999
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C25H25N3O3S/c1-16-21(18-7-3-2-4-8-18)22(23(26)30)25(32-16)27-24(31)19-12-10-17(11-13-19)15-28-14-6-5-9-20(28)29/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3,(H2,26,30)(H,27,31)
InChIKeyGEUVOUFUOBSEAL-UHFFFAOYSA-N
XLogP4.59
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 55572780
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55572668
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
ethyl 5-methyl-2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 2281503
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
2-[4-[(4-chlorobenzoyl)amino]butanoylamino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572331
2-benzamido-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylic acid
CID 139391539
5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 55571774
2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572335
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide
CID 2970640
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide?
The IUPAC name of 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide (CID 154806999) is 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide is Cc1sc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide?
The InChIKey is GEUVOUFUOBSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-16-21(18-7-3-2-4-8-18)22(23(26)30)25(32-16)27-24(31)19-12-10-17(11-13-19)15-28-14-6-5-9-20(28)29/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide?
5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-[(2-oxopiperidin-1-yl)methyl]benzoyl]amino]-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 154806999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).