ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate

C22H23N3O3S — CID 24552952

IUPACethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C22H23N3O3S/c1-3-28-22(27)25-19-6-4-5-18(13-19)21(26)23-12-11-16-7-9-17(10-8-16)20-14-29-15(2)24-20/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyWBPQVUVCYQBLDO-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.66
Rot. Bonds7

About ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate

ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate (PubChem CID 24552952) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate
PubChem CID24552952
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Nameethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C22H23N3O3S/c1-3-28-22(27)25-19-6-4-5-18(13-19)21(26)23-12-11-16-7-9-17(10-8-16)20-14-29-15(2)24-20/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyWBPQVUVCYQBLDO-UHFFFAOYSA-N
XLogP4.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate (CID 24552952) is ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1.
What is the InChIKey of ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate?
The InChIKey is WBPQVUVCYQBLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-28-22(27)25-19-6-4-5-18(13-19)21(26)23-12-11-16-7-9-17(10-8-16)20-14-29-15(2)24-20/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate?
ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate has a molecular weight of 409.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 24552952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).