N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C22H22ClN3O4S — CID 55894721

IUPACN-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OCc2cscn2)c(OC)c1
InChIInChI=1S/C22H22ClN3O4S/c1-3-8-24-22(28)17-6-5-15(23)10-18(17)26-21(27)14-4-7-19(20(9-14)29-2)30-11-16-12-31-13-25-16/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyDHNPZODPCUHKCQ-UHFFFAOYSA-N
MW459.96 g/mol
LogP4.78
Rot. Bonds9

About N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55894721) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55894721
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC NameN-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OCc2cscn2)c(OC)c1
InChIInChI=1S/C22H22ClN3O4S/c1-3-8-24-22(28)17-6-5-15(23)10-18(17)26-21(27)14-4-7-19(20(9-14)29-2)30-11-16-12-31-13-25-16/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyDHNPZODPCUHKCQ-UHFFFAOYSA-N
XLogP4.78
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55580424
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86860467
N-[6-(diethylamino)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55784199

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55894721) is N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OCc2cscn2)c(OC)c1.
What is the InChIKey of N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is DHNPZODPCUHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-3-8-24-22(28)17-6-5-15(23)10-18(17)26-21(27)14-4-7-19(20(9-14)29-2)30-11-16-12-31-13-25-16/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 459.96 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55894721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).