N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide

C24H25N3O3S — CID 55688843

IUPACN-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1sc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)nc1-c1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-15(2)22-21(16-7-4-3-5-8-16)27-24(31-22)26-20(28)14-30-19-10-6-9-18(13-19)25-23(29)17-11-12-17/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyTZYXTPQLFKWJSA-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.30
Rot. Bonds8

About N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55688843) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55688843
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(C)c1sc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)nc1-c1ccccc1
InChIInChI=1S/C24H25N3O3S/c1-15(2)22-21(16-7-4-3-5-8-16)27-24(31-22)26-20(28)14-30-19-10-6-9-18(13-19)25-23(29)17-11-12-17/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyTZYXTPQLFKWJSA-UHFFFAOYSA-N
XLogP5.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807
N-[3-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409447
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409475
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide (CID 55688843) is N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide is CC(C)c1sc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)nc1-c1ccccc1.
What is the InChIKey of N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is TZYXTPQLFKWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-15(2)22-21(16-7-4-3-5-8-16)27-24(31-22)26-20(28)14-30-19-10-6-9-18(13-19)25-23(29)17-11-12-17/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 435.55 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55688843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).