(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate

C24H28N4O4S — CID 68563412

IUPAC(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2SCCN2CCOCC2)c1
InChIInChI=1S/C24H28N4O4S/c1-30-21-4-2-3-18(13-21)17-32-24(29)27-22-6-5-19(20-15-25-26-16-20)14-23(22)33-12-9-28-7-10-31-11-8-28/h2-6,13-16H,7-12,17H2,1H3,(H,25,26)(H,27,29)
InChIKeyFPCGNIZDFDVFFW-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.26
Rot. Bonds9

About (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate

(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate (PubChem CID 68563412) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate
PubChem CID68563412
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESCOc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2SCCN2CCOCC2)c1
InChIInChI=1S/C24H28N4O4S/c1-30-21-4-2-3-18(13-21)17-32-24(29)27-22-6-5-19(20-15-25-26-16-20)14-23(22)33-12-9-28-7-10-31-11-8-28/h2-6,13-16H,7-12,17H2,1H3,(H,25,26)(H,27,29)
InChIKeyFPCGNIZDFDVFFW-UHFFFAOYSA-N
XLogP4.26
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxyphenyl)methyl N-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]carbamate
CID 68568081
(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 117076892
(3-methoxyphenyl)methyl N-[2-(oxolan-3-yloxy)-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68562613
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565165
(3-methoxyphenyl)methyl N-[2-(1H-imidazol-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68564263
1-(3-hydroxy-1-phenylpropyl)-3-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 117077222
benzyl N-[2-[2-(dimethylamino)ethylsulfanyl]-4-(1H-pyrazol-4-yl)phenyl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 117076572
(3-methylphenyl)methyl N-[2-[1-(2-methylmorpholin-4-yl)-3-oxopropan-2-yl]oxy-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 87482054
6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethylsulfanyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 66966472
1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea
CID 45380560
(3-methoxyphenyl)methyl N-[2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68564347
3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 143821830

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate?
The IUPAC name of (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate (CID 68563412) is (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate.
What is the SMILES notation for (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate?
The canonical SMILES for (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate is COc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2SCCN2CCOCC2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate?
The InChIKey is FPCGNIZDFDVFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-30-21-4-2-3-18(13-21)17-32-24(29)27-22-6-5-19(20-15-25-26-16-20)14-23(22)33-12-9-28-7-10-31-11-8-28/h2-6,13-16H,7-12,17H2,1H3,(H,25,26)(H,27,29).
What are the key properties of (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate?
(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate has a molecular weight of 468.58 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 68563412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).