1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate

C29H25F2NO3S — CID 134261427

IUPAC1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate
SMILESCOc1cc(-c2sc(F)cc2NC(=O)OC(C)c2ccccc2F)ccc1-c1ccc(C2CC2)cc1
InChIInChI=1S/C29H25F2NO3S/c1-17(22-5-3-4-6-24(22)30)35-29(33)32-25-16-27(31)36-28(25)21-13-14-23(26(15-21)34-2)20-11-9-19(10-12-20)18-7-8-18/h3-6,9-18H,7-8H2,1-2H3,(H,32,33)
InChIKeyAYUSVSXUEAAHJO-UHFFFAOYSA-N
MW505.59 g/mol
LogP8.56
Rot. Bonds7

About 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate

1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate (PubChem CID 134261427) has the molecular formula C29H25F2NO3S and a molecular weight of 505.59 g/mol. Its IUPAC name is 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate.

Molecular Properties

Compound Name1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate
PubChem CID134261427
Molecular FormulaC29H25F2NO3S
Molecular Weight505.59 g/mol
Exact Mass505.15
IUPAC Name1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate
SMILESCOc1cc(-c2sc(F)cc2NC(=O)OC(C)c2ccccc2F)ccc1-c1ccc(C2CC2)cc1
InChIInChI=1S/C29H25F2NO3S/c1-17(22-5-3-4-6-24(22)30)35-29(33)32-25-16-27(31)36-28(25)21-13-14-23(26(15-21)34-2)20-11-9-19(10-12-20)18-7-8-18/h3-6,9-18H,7-8H2,1-2H3,(H,32,33)
InChIKeyAYUSVSXUEAAHJO-UHFFFAOYSA-N
XLogP8.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate
CID 134261389
[(1R)-1-(2,5-difluorophenyl)ethyl] N-[5-chloro-2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]thiophen-3-yl]carbamate
CID 134261458
[(1R)-1-(4-fluorophenyl)ethyl] N-[5-chloro-2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]thiophen-3-yl]carbamate
CID 134261384
[(1R)-1-(2-methylphenyl)ethyl] N-[2-[4-[4-(1-acetylcyclopropyl)phenyl]-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate
CID 118602836
[(1R)-1-(2,5-difluorophenyl)ethyl] N-[2-[4-[4-(1-acetylcyclopropyl)phenyl]-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate
CID 118602838
1-[4-[4-[5-fluoro-3-[1-(4-methylthiophen-3-yl)ethoxycarbonylamino]thiophen-2-yl]-2-methoxyphenyl]phenyl]cyclopropane-1-carboxylic acid
CID 76683474
1-[4-[4-[3-[1-(4-chlorothiophen-3-yl)ethoxycarbonylamino]-5-fluorothiophen-2-yl]-2-methoxyphenyl]phenyl]cyclopropane-1-carboxylic acid
CID 76683583
1-[4-[4-[5-fluoro-3-[1-(5-fluoro-2-methylphenyl)ethoxycarbonylamino]thiophen-2-yl]-2-methoxyphenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118480392
ethyl 1-[4-[4-[5-fluoro-3-[[(1R)-1-phenylethoxy]carbonylamino]thiophen-2-yl]-2-methoxyphenyl]phenyl]cyclopropane-1-carboxylate
CID 118480550
[(1R)-1-(2-chlorophenyl)ethyl] N-[2-[4-[4-(1-acetylcyclopropyl)phenyl]-3-methoxyphenyl]-5-chlorothiophen-3-yl]carbamate
CID 118602820
1-[4-[4-[5-chloro-3-[1-(2-fluorophenyl)ethoxycarbonylamino]thiophen-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118480375
[4-[2-[3-[1-(4-chlorothiophen-3-yl)ethoxycarbonylamino]-5-fluorothiophen-2-yl]phenyl]phenyl] cyclopropanecarboxylate
CID 175015141

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate?
The IUPAC name of 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate (CID 134261427) is 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate.
What is the SMILES notation for 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate?
The canonical SMILES for 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate is COc1cc(-c2sc(F)cc2NC(=O)OC(C)c2ccccc2F)ccc1-c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate?
The InChIKey is AYUSVSXUEAAHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2NO3S/c1-17(22-5-3-4-6-24(22)30)35-29(33)32-25-16-27(31)36-28(25)21-13-14-23(26(15-21)34-2)20-11-9-19(10-12-20)18-7-8-18/h3-6,9-18H,7-8H2,1-2H3,(H,32,33).
What are the key properties of 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate?
1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate has a molecular weight of 505.59 g/mol, XLogP of 8.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)ethyl N-[2-[4-(4-cyclopropylphenyl)-3-methoxyphenyl]-5-fluorothiophen-3-yl]carbamate is sourced from PubChem (CID 134261427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).