2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide

C23H23N3O3S — CID 56500894

IUPAC2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)c(C(N)=O)c1C
InChIInChI=1S/C23H23N3O3S/c1-14-15(2)30-23(20(14)21(24)28)26-19(27)13-18(16-9-5-3-6-10-16)25-22(29)17-11-7-4-8-12-17/h3-12,18H,13H2,1-2H3,(H2,24,28)(H,25,29)(H,26,27)
InChIKeyAWBMRUCWUKNVHC-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.96
Rot. Bonds7

About 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide

2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56500894) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56500894
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)c(C(N)=O)c1C
InChIInChI=1S/C23H23N3O3S/c1-14-15(2)30-23(20(14)21(24)28)26-19(27)13-18(16-9-5-3-6-10-16)25-22(29)17-11-7-4-8-12-17/h3-12,18H,13H2,1-2H3,(H2,24,28)(H,25,29)(H,26,27)
InChIKeyAWBMRUCWUKNVHC-UHFFFAOYSA-N
XLogP3.96
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
ethyl 2-[(3-acetamido-3-phenylpropanoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55335290

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide (CID 56500894) is 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)c(C(N)=O)c1C.
What is the InChIKey of 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is AWBMRUCWUKNVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-14-15(2)30-23(20(14)21(24)28)26-19(27)13-18(16-9-5-3-6-10-16)25-22(29)17-11-7-4-8-12-17/h3-12,18H,13H2,1-2H3,(H2,24,28)(H,25,29)(H,26,27).
What are the key properties of 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56500894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).