N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C24H26ClN3O3S — CID 55658657

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)ccc1OCc1cscn1
InChIInChI=1S/C24H26ClN3O3S/c1-30-23-12-18(7-8-22(23)31-14-20-15-32-16-27-20)24(29)26-13-21(28-9-2-3-10-28)17-5-4-6-19(25)11-17/h4-8,11-12,15-16,21H,2-3,9-10,13-14H2,1H3,(H,26,29)
InChIKeyJJRMCCNFVFYIKF-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.95
Rot. Bonds9

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55658657) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55658657
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)ccc1OCc1cscn1
InChIInChI=1S/C24H26ClN3O3S/c1-30-23-12-18(7-8-22(23)31-14-20-15-32-16-27-20)24(29)26-13-21(28-9-2-3-10-28)17-5-4-6-19(25)11-17/h4-8,11-12,15-16,21H,2-3,9-10,13-14H2,1H3,(H,26,29)
InChIKeyJJRMCCNFVFYIKF-UHFFFAOYSA-N
XLogP4.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24647039
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55580424
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55658657) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)ccc1OCc1cscn1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is JJRMCCNFVFYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-30-23-12-18(7-8-22(23)31-14-20-15-32-16-27-20)24(29)26-13-21(28-9-2-3-10-28)17-5-4-6-19(25)11-17/h4-8,11-12,15-16,21H,2-3,9-10,13-14H2,1H3,(H,26,29).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 472.01 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55658657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).