N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C25H27N3O7S — CID 4832832

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1OC
InChIInChI=1S/C25H27N3O7S/c1-31-19-6-4-16(12-21(19)32-2)18-15-36-25(26-18)27-24(30)17-5-7-20(22(13-17)33-3)35-14-23(29)28-8-10-34-11-9-28/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27,30)
InChIKeyKWQWGMHYHQVZIL-UHFFFAOYSA-N
MW513.57 g/mol
LogP3.33
Rot. Bonds9

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 4832832) has the molecular formula C25H27N3O7S and a molecular weight of 513.57 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID4832832
Molecular FormulaC25H27N3O7S
Molecular Weight513.57 g/mol
Exact Mass513.16
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1OC
InChIInChI=1S/C25H27N3O7S/c1-31-19-6-4-16(12-21(19)32-2)18-15-36-25(26-18)27-24(30)17-5-7-20(22(13-17)33-3)35-14-23(29)28-8-10-34-11-9-28/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27,30)
InChIKeyKWQWGMHYHQVZIL-UHFFFAOYSA-N
XLogP3.33
TPSA108.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173542
4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2327631
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473
N-(4-(pyridin-2-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 5199136
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144346

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 4832832) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is KWQWGMHYHQVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7S/c1-31-19-6-4-16(12-21(19)32-2)18-15-36-25(26-18)27-24(30)17-5-7-20(22(13-17)33-3)35-14-23(29)28-8-10-34-11-9-28/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27,30).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 513.57 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 4832832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).