N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C22H25N3O5S — CID 55760737

IUPACN-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C22H25N3O5S/c1-4-8-30-18-6-5-15(10-19(18)28-3)12-23-20(26)11-16-13-31-22(24-16)25-21(27)17-7-9-29-14(17)2/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyLKVASKIAKWBBOM-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.95
Rot. Bonds10

About N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55760737) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID55760737
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C22H25N3O5S/c1-4-8-30-18-6-5-15(10-19(18)28-3)12-23-20(26)11-16-13-31-22(24-16)25-21(27)17-7-9-29-14(17)2/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyLKVASKIAKWBBOM-UHFFFAOYSA-N
XLogP3.95
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55901595
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
3,4-dimethoxy-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567997
N-[4-[2-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55792061
N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 49181620
N-[4-[2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955751
3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55635271
N-[4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488883
N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55894433
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55760737) is N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is CCCOc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1OC.
What is the InChIKey of N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is LKVASKIAKWBBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-8-30-18-6-5-15(10-19(18)28-3)12-23-20(26)11-16-13-31-22(24-16)25-21(27)17-7-9-29-14(17)2/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55760737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).