N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide

C24H26N4O3S — CID 146702201

IUPACN-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCNC2)cc1C(=O)NCc1cccc(-c2nccs2)c1
InChIInChI=1S/C24H26N4O3S/c1-2-31-21-7-6-19(28-22(29)18-8-9-25-15-18)13-20(21)23(30)27-14-16-4-3-5-17(12-16)24-26-10-11-32-24/h3-7,10-13,18,25H,2,8-9,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyQWBJZIHUMRTRLP-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.69
Rot. Bonds8

About N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide

N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 146702201) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID146702201
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCNC2)cc1C(=O)NCc1cccc(-c2nccs2)c1
InChIInChI=1S/C24H26N4O3S/c1-2-31-21-7-6-19(28-22(29)18-8-9-25-15-18)13-20(21)23(30)27-14-16-4-3-5-17(12-16)24-26-10-11-32-24/h3-7,10-13,18,25H,2,8-9,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKeyQWBJZIHUMRTRLP-UHFFFAOYSA-N
XLogP3.69
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
2-ethoxy-5-(2-methylpropanoylamino)-N-[(3-piperazin-1-ylphenyl)methyl]benzamide
CID 175026395
1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 51090657
(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide (CID 146702201) is N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCNC2)cc1C(=O)NCc1cccc(-c2nccs2)c1.
What is the InChIKey of N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QWBJZIHUMRTRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-31-21-7-6-19(28-22(29)18-8-9-25-15-18)13-20(21)23(30)27-14-16-4-3-5-17(12-16)24-26-10-11-32-24/h3-7,10-13,18,25H,2,8-9,14-15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide?
N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-[[3-(1,3-thiazol-2-yl)phenyl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 146702201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).