N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide

C17H19N3O3S — CID 119938258

IUPACN-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
SMILESO=C(CC1CSCCN1)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C17H19N3O3S/c21-16(9-15-11-24-7-5-18-15)19-13-2-1-3-14(8-13)20-17(22)12-4-6-23-10-12/h1-4,6,8,10,15,18H,5,7,9,11H2,(H,19,21)(H,20,22)
InChIKeyWAOHPUHJOAZPLD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.57
Rot. Bonds5

About N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide

N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide (PubChem CID 119938258) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
PubChem CID119938258
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
SMILESO=C(CC1CSCCN1)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C17H19N3O3S/c21-16(9-15-11-24-7-5-18-15)19-13-2-1-3-14(8-13)20-17(22)12-4-6-23-10-12/h1-4,6,8,10,15,18H,5,7,9,11H2,(H,19,21)(H,20,22)
InChIKeyWAOHPUHJOAZPLD-UHFFFAOYSA-N
XLogP2.57
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-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-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide
CID 167785851
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119941075
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(1H-imidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941815

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide (CID 119938258) is N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide is O=C(CC1CSCCN1)Nc1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide?
The InChIKey is WAOHPUHJOAZPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(9-15-11-24-7-5-18-15)19-13-2-1-3-14(8-13)20-17(22)12-4-6-23-10-12/h1-4,6,8,10,15,18H,5,7,9,11H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide?
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 119938258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).