2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide

C16H21N3O4S — CID 156745051

IUPAC2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCCC(NC(=O)c1cc(C2CC2)sc1NC(C)=O)C(=O)NC=O
InChIInChI=1S/C16H21N3O4S/c1-3-4-12(15(23)17-8-20)19-14(22)11-7-13(10-5-6-10)24-16(11)18-9(2)21/h7-8,10,12H,3-6H2,1-2H3,(H,18,21)(H,19,22)(H,17,20,23)
InChIKeyYZMYELCCIJKXNU-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.75
Rot. Bonds8

About 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide

2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide (PubChem CID 156745051) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
PubChem CID156745051
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCCC(NC(=O)c1cc(C2CC2)sc1NC(C)=O)C(=O)NC=O
InChIInChI=1S/C16H21N3O4S/c1-3-4-12(15(23)17-8-20)19-14(22)11-7-13(10-5-6-10)24-16(11)18-9(2)21/h7-8,10,12H,3-6H2,1-2H3,(H,18,21)(H,19,22)(H,17,20,23)
InChIKeyYZMYELCCIJKXNU-UHFFFAOYSA-N
XLogP1.75
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
1-(3-((5-Oxo-1,4-diazepan-6-yl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560972
2-Acetamido-5-propyl-3-thiophenecarboxamide
CID 1246587
2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]thiophene-3-carboxamide
CID 8083216
2-[[2-[(3-Methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]thiophene-3-carboxamide
CID 16276663
N-cyclopropyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 16306811
2-{2-[Cyclopentyl-(3-methyl-benzoyl)-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 24792380
2-Benzamido-N-[2-(dimethylamino)ethyl]-4,5-dimethylthiophene-3-carboxamide
CID 792246
2-{2-[cyclopropyl-N-benzylcarbonylamino]acetylamino}-4,5-dimethylthiophene-3-c arboxamide
CID 1460393
2-amino-N-[2-[(3-benzoyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl]acetamide
CID 44377839
1-(3-((2-Oxoazepan-3-yl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560971

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide (CID 156745051) is 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide is CCCC(NC(=O)c1cc(C2CC2)sc1NC(C)=O)C(=O)NC=O.
What is the InChIKey of 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
The InChIKey is YZMYELCCIJKXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-4-12(15(23)17-8-20)19-14(22)11-7-13(10-5-6-10)24-16(11)18-9(2)21/h7-8,10,12H,3-6H2,1-2H3,(H,18,21)(H,19,22)(H,17,20,23).
What are the key properties of 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide?
2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-cyclopropyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 156745051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).