N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide

C14H15N3O3S2 — CID 113028610

IUPACN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)cn1)c1cccs1
InChIInChI=1S/C14H15N3O3S2/c18-14(12-2-1-6-21-12)17-13-4-3-10(8-15-13)16-11-5-7-22(19,20)9-11/h1-4,6,8,11,16H,5,7,9H2,(H,15,17,18)
InChIKeyQHLJODDFDNRBLY-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.99
Rot. Bonds4

About N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113028610) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113028610
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)cn1)c1cccs1
InChIInChI=1S/C14H15N3O3S2/c18-14(12-2-1-6-21-12)17-13-4-3-10(8-15-13)16-11-5-7-22(19,20)9-11/h1-4,6,8,11,16H,5,7,9H2,(H,15,17,18)
InChIKeyQHLJODDFDNRBLY-UHFFFAOYSA-N
XLogP1.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]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

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113013605
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113013654
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113013624
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide (CID 113028610) is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC2CCS(=O)(=O)C2)cn1)c1cccs1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is QHLJODDFDNRBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c18-14(12-2-1-6-21-12)17-13-4-3-10(8-15-13)16-11-5-7-22(19,20)9-11/h1-4,6,8,11,16H,5,7,9H2,(H,15,17,18).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide?
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113028610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).