N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C19H17ClN2O4S — CID 27006763

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3cscn3)c2)c(OC)cc1Cl
InChIInChI=1S/C19H17ClN2O4S/c1-24-17-8-16(18(25-2)7-15(17)20)22-19(23)12-4-3-5-14(6-12)26-9-13-10-27-11-21-13/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyQYJQXLHJXZXSFV-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.64
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27006763) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID27006763
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3cscn3)c2)c(OC)cc1Cl
InChIInChI=1S/C19H17ClN2O4S/c1-24-17-8-16(18(25-2)7-15(17)20)22-19(23)12-4-3-5-14(6-12)26-9-13-10-27-11-21-13/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyQYJQXLHJXZXSFV-UHFFFAOYSA-N
XLogP4.64
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34804612
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27006763) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(NC(=O)c2cccc(OCc3cscn3)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is QYJQXLHJXZXSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-24-17-8-16(18(25-2)7-15(17)20)22-19(23)12-4-3-5-14(6-12)26-9-13-10-27-11-21-13/h3-8,10-11H,9H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 404.88 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27006763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).