N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide

C13H18N2O4S2 — CID 71449015

IUPACN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccsc1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H18N2O4S2/c1-15(11-3-6-21(18,19)7-4-11)12(16)8-14-13(17)10-2-5-20-9-10/h2,5,9,11H,3-4,6-8H2,1H3,(H,14,17)
InChIKeyQCZYUZNIYMQEIC-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.51
Rot. Bonds4

About N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 71449015) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID71449015
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC NameN-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccsc1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H18N2O4S2/c1-15(11-3-6-21(18,19)7-4-11)12(16)8-14-13(17)10-2-5-20-9-10/h2,5,9,11H,3-4,6-8H2,1H3,(H,14,17)
InChIKeyQCZYUZNIYMQEIC-UHFFFAOYSA-N
XLogP0.51
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide (CID 71449015) is N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide is CN(C(=O)CNC(=O)c1ccsc1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is QCZYUZNIYMQEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-15(11-3-6-21(18,19)7-4-11)12(16)8-14-13(17)10-2-5-20-9-10/h2,5,9,11H,3-4,6-8H2,1H3,(H,14,17).
What are the key properties of N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71449015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).