2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide

C25H27N3O4S — CID 24583578

IUPAC2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O4S/c1-16-14-21(26-24(31)25(2,3)4)33-22(16)23(30)28-27-20(29)15-32-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-14H,15H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyVTLTXMUPDHNILU-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.55
Rot. Bonds6

About 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide (PubChem CID 24583578) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide
PubChem CID24583578
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O4S/c1-16-14-21(26-24(31)25(2,3)4)33-22(16)23(30)28-27-20(29)15-32-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-14H,15H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyVTLTXMUPDHNILU-UHFFFAOYSA-N
XLogP4.55
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide (CID 24583578) is 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide?
The InChIKey is VTLTXMUPDHNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-16-14-21(26-24(31)25(2,3)4)33-22(16)23(30)28-27-20(29)15-32-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-14H,15H2,1-4H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide?
2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide has a molecular weight of 465.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-5-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 24583578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).