2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide

C20H25N3O4S2 — CID 21093988

IUPAC2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O4S2/c24-19(22-20-21-9-12-28-20)18(13-14-7-10-27-11-8-14)15-1-5-17(6-2-15)29(25,26)23-16-3-4-16/h1-2,5-6,9,12,14,16,18,23H,3-4,7-8,10-11,13H2,(H,21,22,24)
InChIKeyLLAWDJRAYDVHRO-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.12
Rot. Bonds8

About 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide

2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 21093988) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID21093988
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O4S2/c24-19(22-20-21-9-12-28-20)18(13-14-7-10-27-11-8-14)15-1-5-17(6-2-15)29(25,26)23-16-3-4-16/h1-2,5-6,9,12,14,16,18,23H,3-4,7-8,10-11,13H2,(H,21,22,24)
InChIKeyLLAWDJRAYDVHRO-UHFFFAOYSA-N
XLogP3.12
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)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

2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
2-(4-butylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 22315127
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 141167514
3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 22467915
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
3-cyclopentyl-2-(4-isocyanophenyl)-N-(1,3-thiazol-2-yl)propanamide;methane
CID 157066316
3-cyclopentyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 22315147
3-cyclopentyl-N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-ylphenyl)propanamide
CID 22467925
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094198
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-[4-(2,2-dimethylpropanoyl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 46195122

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 21093988) is 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LLAWDJRAYDVHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c24-19(22-20-21-9-12-28-20)18(13-14-7-10-27-11-8-14)15-1-5-17(6-2-15)29(25,26)23-16-3-4-16/h1-2,5-6,9,12,14,16,18,23H,3-4,7-8,10-11,13H2,(H,21,22,24).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)phenyl]-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 21093988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).