N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C13H17N3O3S — CID 83115570

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1sccc1C#CCO
InChIInChI=1S/C13H17N3O3S/c1-16(2)13(19)15-7-6-14-12(18)11-10(4-3-8-17)5-9-20-11/h5,9,17H,6-8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyGLNITIDPMVCNJG-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.09
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 83115570) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID83115570
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1sccc1C#CCO
InChIInChI=1S/C13H17N3O3S/c1-16(2)13(19)15-7-6-14-12(18)11-10(4-3-8-17)5-9-20-11/h5,9,17H,6-8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyGLNITIDPMVCNJG-UHFFFAOYSA-N
XLogP0.09
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-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

3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63797095
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methoxyethoxy)ethyl]thiophene-2-carboxamide
CID 63796096
N-[2-(dimethylamino)propyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796281
3-(3-hydroxyprop-1-ynyl)-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 115521772
ethyl 4-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]butanoate
CID 64574712
N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 79395346
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 65042711
3-(3-hydroxyprop-1-ynyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 63797845
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 55238972
N-[4-(dimethylamino)butyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796452
3-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 63796407

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 83115570) is N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CN(C)C(=O)NCCNC(=O)c1sccc1C#CCO.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is GLNITIDPMVCNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16(2)13(19)15-7-6-14-12(18)11-10(4-3-8-17)5-9-20-11/h5,9,17H,6-8H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 83115570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).