N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide

C20H20N2O4S3 — CID 90612721

IUPACN-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1
InChIInChI=1S/C20H20N2O4S3/c1-3-19(23)22-15-4-7-18(13(2)10-15)29(25,26)21-11-16-5-6-17(28-16)20(24)14-8-9-27-12-14/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyTUOZNVSVOPFGOM-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.18
Rot. Bonds8

About N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide

N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide (PubChem CID 90612721) has the molecular formula C20H20N2O4S3 and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
PubChem CID90612721
Molecular FormulaC20H20N2O4S3
Molecular Weight448.59 g/mol
Exact Mass448.06
IUPAC NameN-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1
InChIInChI=1S/C20H20N2O4S3/c1-3-19(23)22-15-4-7-18(13(2)10-15)29(25,26)21-11-16-5-6-17(28-16)20(24)14-8-9-27-12-14/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyTUOZNVSVOPFGOM-UHFFFAOYSA-N
XLogP4.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide 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

4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
CID 90612640
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 16932779
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612781
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90612695
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 90612662
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide (CID 90612721) is N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide?
The InChIKey is TUOZNVSVOPFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S3/c1-3-19(23)22-15-4-7-18(13(2)10-15)29(25,26)21-11-16-5-6-17(28-16)20(24)14-8-9-27-12-14/h4-10,12,21H,3,11H2,1-2H3,(H,22,23).
What are the key properties of N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide?
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide has a molecular weight of 448.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 90612721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).