N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide

C18H20N4O4S2 — CID 42949719

IUPACN-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C18H20N4O4S2/c1-11-10-27-18-20-13(7-17(23)22(11)18)9-19-15-8-14(5-6-16(15)26-2)28(24,25)21-12-3-4-12/h5-8,10,12,19,21H,3-4,9H2,1-2H3
InChIKeyWJSPUSWNBYFJPM-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.13
Rot. Bonds7

About N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide

N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide (PubChem CID 42949719) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide
PubChem CID42949719
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC NameN-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C18H20N4O4S2/c1-11-10-27-18-20-13(7-17(23)22(11)18)9-19-15-8-14(5-6-16(15)26-2)28(24,25)21-12-3-4-12/h5-8,10,12,19,21H,3-4,9H2,1-2H3
InChIKeyWJSPUSWNBYFJPM-UHFFFAOYSA-N
XLogP2.13
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide 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-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729727
N-cyclopropyl-3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-methoxybenzenesulfonamide
CID 34066534
N-cyclopropyl-4-methoxy-3-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzenesulfonamide
CID 31417881
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 60535395
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46535382
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
7-[[4-(1-cyclopropyltetrazol-5-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 134020184
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 55811694

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide (CID 42949719) is N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide?
The InChIKey is WJSPUSWNBYFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-11-10-27-18-20-13(7-17(23)22(11)18)9-19-15-8-14(5-6-16(15)26-2)28(24,25)21-12-3-4-12/h5-8,10,12,19,21H,3-4,9H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide?
N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide has a molecular weight of 420.52 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 42949719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).